2-amino-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;1,5-dimethyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,5-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;N,N-dimethyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-ethyl-6-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(methylamino)-1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone;1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole;1-(1-methyl-3-propan-2-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5-yl)ethanone

C164H272N46O9 — CID 160764784

IUPAC2-amino-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;1,5-dimethyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,5-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;N,N-dimethyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-ethyl-6-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(methylamino)-1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone;1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole;1-(1-methyl-3-propan-2-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5-yl)ethanone
SMILESCC(=O)N1CCCc2c(c(C(C)C)nn2C)C1.CC(=O)N1CCc2c(C(C)C)nn(C)c2C1.CC(=O)N1CCc2c(c(C(C)C)nn2C)C1.CC(=O)N1Cc2c(C(C)C)nn(C)c2C1.CC(C)c1n[nH]c2c1CCN(C(=O)N(C)C)C2.CC(C)c1n[nH]c2c1CN(C(=O)CN)CCC2.CC(C)c1nn(C)c2c1CCCCC2.CC(C)c1nn(C)c2c1CCN(C)C2.CC(C)c1nn(C)c2c1CN(C)C2.CC(C)c1nn(C)c2c1CN(C)CC2.CCn1nc(C(C)C)c2c1CN(C)CC2.CNCC(=O)N1CCCc2[nH]nc(C(C)C)c2C1.CNCC(=O)N1CCc2[nH]nc(C(C)C)c2C1.CNCC(=O)N1Cc2[nH]nc(C(C)C)c2C1
InChIInChI=1S/C13H22N4O.C13H21N3O.3C12H20N4O.2C12H19N3O.C12H21N3.C12H20N2.C11H18N4O.C11H17N3O.2C11H19N3.C10H17N3/c1-9(2)13-10-8-17(12(18)7-14-3)6-4-5-11(10)15-16-13;1-9(2)13-11-8-16(10(3)17)7-5-6-12(11)15(4)14-13;1-8(2)11-9-5-6-16(12(17)15(3)4)7-10(9)13-14-11;1-8(2)12-9-7-16(11(17)6-13-3)5-4-10(9)14-15-12;1-8(2)12-9-7-16(11(17)6-13)5-3-4-10(9)14-15-12;1-8(2)12-10-7-15(9(3)16)6-5-11(10)14(4)13-12;1-8(2)12-10-5-6-15(9(3)16)7-11(10)14(4)13-12;1-5-15-11-8-14(4)7-6-10(11)12(13-15)9(2)3;1-9(2)12-10-7-5-4-6-8-11(10)14(3)13-12;1-7(2)11-8-5-15(10(16)4-12-3)6-9(8)13-14-11;1-7(2)11-9-5-14(8(3)15)6-10(9)13(4)12-11;1-8(2)11-9-7-13(3)6-5-10(9)14(4)12-11;1-8(2)11-9-5-6-13(3)7-10(9)14(4)12-11;1-7(2)10-8-5-12(3)6-9(8)13(4)11-10/h9,14H,4-8H2,1-3H3,(H,15,16);9H,5-8H2,1-4H3;8H,5-7H2,1-4H3,(H,13,14);8,13H,4-7H2,1-3H3,(H,14,15);8H,3-7,13H2,1-2H3,(H,14,15);2*8H,5-7H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;7,12H,4-6H2,1-3H3,(H,13,14);7H,5-6H2,1-4H3;2*8H,5-7H2,1-4H3;7H,5-6H2,1-4H3
InChIKeyRYNPNNSRJFZTMW-UHFFFAOYSA-N
MW3032.29 g/mol
LogP20.12
Rot. Bonds22

About 2-amino-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;1,5-dimethyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,5-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;N,N-dimethyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-ethyl-6-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(methylamino)-1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone;1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole;1-(1-methyl-3-propan-2-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5-yl)ethanone

2-amino-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;1,5-dimethyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,5-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;N,N-dimethyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-ethyl-6-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(methylamino)-1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone;1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole;1-(1-methyl-3-propan-2-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5-yl)ethanone (PubChem CID 160764784) has the molecular formula C164H272N46O9 and a molecular weight of 3032.29 g/mol. Its IUPAC name is 2-amino-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;1,5-dimethyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,5-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;N,N-dimethyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-ethyl-6-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(methylamino)-1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone;1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole;1-(1-methyl-3-propan-2-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;1,5-dimethyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,5-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;N,N-dimethyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-ethyl-6-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(methylamino)-1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone;1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole;1-(1-methyl-3-propan-2-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5-yl)ethanone
PubChem CID160764784
Molecular FormulaC164H272N46O9
Molecular Weight3032.29 g/mol
Exact Mass3030.22
IUPAC Name2-amino-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;1,5-dimethyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,5-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;N,N-dimethyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-ethyl-6-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(methylamino)-1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone;1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole;1-(1-methyl-3-propan-2-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5-yl)ethanone
SMILESCC(=O)N1CCCc2c(c(C(C)C)nn2C)C1.CC(=O)N1CCc2c(C(C)C)nn(C)c2C1.CC(=O)N1CCc2c(c(C(C)C)nn2C)C1.CC(=O)N1Cc2c(C(C)C)nn(C)c2C1.CC(C)c1n[nH]c2c1CCN(C(=O)N(C)C)C2.CC(C)c1n[nH]c2c1CN(C(=O)CN)CCC2.CC(C)c1nn(C)c2c1CCCCC2.CC(C)c1nn(C)c2c1CCN(C)C2.CC(C)c1nn(C)c2c1CN(C)C2.CC(C)c1nn(C)c2c1CN(C)CC2.CCn1nc(C(C)C)c2c1CN(C)CC2.CNCC(=O)N1CCCc2[nH]nc(C(C)C)c2C1.CNCC(=O)N1CCc2[nH]nc(C(C)C)c2C1.CNCC(=O)N1Cc2[nH]nc(C(C)C)c2C1
InChIInChI=1S/C13H22N4O.C13H21N3O.3C12H20N4O.2C12H19N3O.C12H21N3.C12H20N2.C11H18N4O.C11H17N3O.2C11H19N3.C10H17N3/c1-9(2)13-10-8-17(12(18)7-14-3)6-4-5-11(10)15-16-13;1-9(2)13-11-8-16(10(3)17)7-5-6-12(11)15(4)14-13;1-8(2)11-9-5-6-16(12(17)15(3)4)7-10(9)13-14-11;1-8(2)12-9-7-16(11(17)6-13-3)5-4-10(9)14-15-12;1-8(2)12-9-7-16(11(17)6-13)5-3-4-10(9)14-15-12;1-8(2)12-10-7-15(9(3)16)6-5-11(10)14(4)13-12;1-8(2)12-10-5-6-15(9(3)16)7-11(10)14(4)13-12;1-5-15-11-8-14(4)7-6-10(11)12(13-15)9(2)3;1-9(2)12-10-7-5-4-6-8-11(10)14(3)13-12;1-7(2)11-8-5-15(10(16)4-12-3)6-9(8)13-14-11;1-7(2)11-9-5-14(8(3)15)6-10(9)13(4)12-11;1-8(2)11-9-7-13(3)6-5-10(9)14(4)12-11;1-8(2)11-9-5-6-13(3)7-10(9)14(4)12-11;1-7(2)10-8-5-12(3)6-9(8)13(4)11-10/h9,14H,4-8H2,1-3H3,(H,15,16);9H,5-8H2,1-4H3;8H,5-7H2,1-4H3,(H,13,14);8,13H,4-7H2,1-3H3,(H,14,15);8H,3-7,13H2,1-2H3,(H,14,15);2*8H,5-7H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;7,12H,4-6H2,1-3H3,(H,13,14);7H,5-6H2,1-4H3;2*8H,5-7H2,1-4H3;7H,5-6H2,1-4H3
InChIKeyRYNPNNSRJFZTMW-UHFFFAOYSA-N
XLogP20.12
TPSA564.88 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds22
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003032.29
LogP ≤ 520.12
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Analyze 2-amino-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;1,5-dimethyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,5-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;N,N-dimethyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-ethyl-6-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(methylamino)-1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone;1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole;1-(1-methyl-3-propan-2-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5-yl)ethanone with MolForge

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What is the IUPAC name of 2-amino-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;1,5-dimethyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,5-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;N,N-dimethyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-ethyl-6-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(methylamino)-1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone;1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole;1-(1-methyl-3-propan-2-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5-yl)ethanone?
The IUPAC name of 2-amino-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;1,5-dimethyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,5-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;N,N-dimethyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-ethyl-6-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(methylamino)-1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone;1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole;1-(1-methyl-3-propan-2-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5-yl)ethanone (CID 160764784) is 2-amino-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;1,5-dimethyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,5-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;N,N-dimethyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-ethyl-6-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(methylamino)-1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone;1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole;1-(1-methyl-3-propan-2-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;1,5-dimethyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,5-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;N,N-dimethyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-ethyl-6-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(methylamino)-1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone;1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole;1-(1-methyl-3-propan-2-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5-yl)ethanone?
The canonical SMILES for 2-amino-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;1,5-dimethyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,5-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;N,N-dimethyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-ethyl-6-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(methylamino)-1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone;1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole;1-(1-methyl-3-propan-2-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5-yl)ethanone is CC(=O)N1CCCc2c(c(C(C)C)nn2C)C1.CC(=O)N1CCc2c(C(C)C)nn(C)c2C1.CC(=O)N1CCc2c(c(C(C)C)nn2C)C1.CC(=O)N1Cc2c(C(C)C)nn(C)c2C1.CC(C)c1n[nH]c2c1CCN(C(=O)N(C)C)C2.CC(C)c1n[nH]c2c1CN(C(=O)CN)CCC2.CC(C)c1nn(C)c2c1CCCCC2.CC(C)c1nn(C)c2c1CCN(C)C2.CC(C)c1nn(C)c2c1CN(C)C2.CC(C)c1nn(C)c2c1CN(C)CC2.CCn1nc(C(C)C)c2c1CN(C)CC2.CNCC(=O)N1CCCc2[nH]nc(C(C)C)c2C1.CNCC(=O)N1CCc2[nH]nc(C(C)C)c2C1.CNCC(=O)N1Cc2[nH]nc(C(C)C)c2C1.
What is the InChIKey of 2-amino-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;1,5-dimethyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,5-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;N,N-dimethyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-ethyl-6-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(methylamino)-1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone;1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole;1-(1-methyl-3-propan-2-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5-yl)ethanone?
The InChIKey is RYNPNNSRJFZTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.C13H21N3O.3C12H20N4O.2C12H19N3O.C12H21N3.C12H20N2.C11H18N4O.C11H17N3O.2C11H19N3.C10H17N3/c1-9(2)13-10-8-17(12(18)7-14-3)6-4-5-11(10)15-16-13;1-9(2)13-11-8-16(10(3)17)7-5-6-12(11)15(4)14-13;1-8(2)11-9-5-6-16(12(17)15(3)4)7-10(9)13-14-11;1-8(2)12-9-7-16(11(17)6-13-3)5-4-10(9)14-15-12;1-8(2)12-9-7-16(11(17)6-13)5-3-4-10(9)14-15-12;1-8(2)12-10-7-15(9(3)16)6-5-11(10)14(4)13-12;1-8(2)12-10-5-6-15(9(3)16)7-11(10)14(4)13-12;1-5-15-11-8-14(4)7-6-10(11)12(13-15)9(2)3;1-9(2)12-10-7-5-4-6-8-11(10)14(3)13-12;1-7(2)11-8-5-15(10(16)4-12-3)6-9(8)13-14-11;1-7(2)11-9-5-14(8(3)15)6-10(9)13(4)12-11;1-8(2)11-9-7-13(3)6-5-10(9)14(4)12-11;1-8(2)11-9-5-6-13(3)7-10(9)14(4)12-11;1-7(2)10-8-5-12(3)6-9(8)13(4)11-10/h9,14H,4-8H2,1-3H3,(H,15,16);9H,5-8H2,1-4H3;8H,5-7H2,1-4H3,(H,13,14);8,13H,4-7H2,1-3H3,(H,14,15);8H,3-7,13H2,1-2H3,(H,14,15);2*8H,5-7H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;7,12H,4-6H2,1-3H3,(H,13,14);7H,5-6H2,1-4H3;2*8H,5-7H2,1-4H3;7H,5-6H2,1-4H3.
What are the key properties of 2-amino-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;1,5-dimethyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,5-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;N,N-dimethyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-ethyl-6-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(methylamino)-1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone;1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole;1-(1-methyl-3-propan-2-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5-yl)ethanone?
2-amino-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;1,5-dimethyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,5-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;N,N-dimethyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-ethyl-6-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(methylamino)-1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone;1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole;1-(1-methyl-3-propan-2-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5-yl)ethanone has a molecular weight of 3032.29 g/mol, XLogP of 20.12, 22 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;1,5-dimethyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,5-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;N,N-dimethyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-ethyl-6-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-(methylamino)-1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)ethanone;2-(methylamino)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone;1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;1-(1-methyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole;1-(1-methyl-3-propan-2-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5-yl)ethanone is sourced from PubChem (CID 160764784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).