1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;bis(1-propan-2-ylazepane);4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole

C224H376F2N38OS — CID 158298691

IUPAC1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;bis(1-propan-2-ylazepane);4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCC(C)N1CCCCCC1.CC(C)N1CCCCCC1.CC(C)N1CC[C@H](F)C1.CC(C)N1CC[C@H](N(C)C)C1.CC(C)c1cccn1C.CC(C)c1ccn(C)n1.CC(C)c1ccnc(N2CCC(C)(F)C2)c1.CC(C)c1ccnc(N2CC[C@@H](C)C2)c1.CC(C)c1ccnc(N2CC[C@H](C)C2)c1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCC2)c1.CC1=C(C(C)C)C=NC1.CC1=NCC(C)=C1C(C)C.CC1CCN(c2cc(C(C)C)ccn2)C1.CCCn1cc(C(C)C)cn1.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1cccc(C(C)C)n1.Cc1coc(C)c1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)cc1C(C)C
InChIInChI=1S/C13H19FN2.3C13H20N2.C12H14N2.C11H18N2.C9H16N2.C9H20N2.2C9H16N2.C9H15N.C9H13N.2C9H19N.C9H14O.2C8H14N2.C8H13NS.2C8H13N.C7H14FN.3C7H12N2/c1-10(2)11-4-6-15-12(8-11)16-7-5-13(3,14)9-16;3*1-10(2)12-4-6-14-13(8-12)15-7-5-11(3)9-15;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-7(2)9-5-10-11(6-9)8(3)4;1-8(2)11-6-5-9(7-11)10(3)4;1-6(2)9-7(3)10-11(5)8(9)4;1-4-5-11-7-9(6-10-11)8(2)3;1-6(2)9-7(3)5-10-8(9)4;1-7(2)9-6-4-5-8(3)10-9;2*1-9(2)10-7-5-3-4-6-8-10;1-6(2)9-7(3)5-10-8(9)4;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-5(2)8-6(3)9-7(4)10-8;1-6(2)8-5-9-4-7(8)3;1-7(2)8-5-4-6-9(8)3;1-6(2)9-4-3-7(8)5-9;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-8-9-6(7)3/h4,6,8,10H,5,7,9H2,1-3H3;3*4,6,8,10-11H,5,7,9H2,1-3H3;3-10H,1-2H3;7-9,11H,3-6H2,1-2H3;5-8H,1-4H3;8-9H,5-7H2,1-4H3;6H,1-5H3;6-8H,4-5H2,1-3H3;6H,5H2,1-4H3;4-7H,1-3H3;2*9H,3-8H2,1-2H3;3*5-6H,1-4H3;5H,1-4H3;5-6H,4H2,1-3H3;4-7H,1-3H3;6-7H,3-5H2,1-2H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9)/t;2*11-;;;;;9-;;;;;;;;;;;;;7-;;;/m.10....0............0.../s1
InChIKeyGMFOHVSFULMJBX-WNGOLRNSSA-N
MW3687.80 g/mol
LogP56.26
Rot. Bonds34

About 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;bis(1-propan-2-ylazepane);4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole

1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;bis(1-propan-2-ylazepane);4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole (PubChem CID 158298691) has the molecular formula C224H376F2N38OS and a molecular weight of 3687.80 g/mol. Its IUPAC name is 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;bis(1-propan-2-ylazepane);4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;bis(1-propan-2-ylazepane);4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
PubChem CID158298691
Molecular FormulaC224H376F2N38OS
Molecular Weight3687.80 g/mol
Exact Mass3685.02
IUPAC Name1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;bis(1-propan-2-ylazepane);4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCC(C)N1CCCCCC1.CC(C)N1CCCCCC1.CC(C)N1CC[C@H](F)C1.CC(C)N1CC[C@H](N(C)C)C1.CC(C)c1cccn1C.CC(C)c1ccn(C)n1.CC(C)c1ccnc(N2CCC(C)(F)C2)c1.CC(C)c1ccnc(N2CC[C@@H](C)C2)c1.CC(C)c1ccnc(N2CC[C@H](C)C2)c1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCC2)c1.CC1=C(C(C)C)C=NC1.CC1=NCC(C)=C1C(C)C.CC1CCN(c2cc(C(C)C)ccn2)C1.CCCn1cc(C(C)C)cn1.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1cccc(C(C)C)n1.Cc1coc(C)c1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)cc1C(C)C
InChIInChI=1S/C13H19FN2.3C13H20N2.C12H14N2.C11H18N2.C9H16N2.C9H20N2.2C9H16N2.C9H15N.C9H13N.2C9H19N.C9H14O.2C8H14N2.C8H13NS.2C8H13N.C7H14FN.3C7H12N2/c1-10(2)11-4-6-15-12(8-11)16-7-5-13(3,14)9-16;3*1-10(2)12-4-6-14-13(8-12)15-7-5-11(3)9-15;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-7(2)9-5-10-11(6-9)8(3)4;1-8(2)11-6-5-9(7-11)10(3)4;1-6(2)9-7(3)10-11(5)8(9)4;1-4-5-11-7-9(6-10-11)8(2)3;1-6(2)9-7(3)5-10-8(9)4;1-7(2)9-6-4-5-8(3)10-9;2*1-9(2)10-7-5-3-4-6-8-10;1-6(2)9-7(3)5-10-8(9)4;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-5(2)8-6(3)9-7(4)10-8;1-6(2)8-5-9-4-7(8)3;1-7(2)8-5-4-6-9(8)3;1-6(2)9-4-3-7(8)5-9;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-8-9-6(7)3/h4,6,8,10H,5,7,9H2,1-3H3;3*4,6,8,10-11H,5,7,9H2,1-3H3;3-10H,1-2H3;7-9,11H,3-6H2,1-2H3;5-8H,1-4H3;8-9H,5-7H2,1-4H3;6H,1-5H3;6-8H,4-5H2,1-3H3;6H,5H2,1-4H3;4-7H,1-3H3;2*9H,3-8H2,1-2H3;3*5-6H,1-4H3;5H,1-4H3;5-6H,4H2,1-3H3;4-7H,1-3H3;6-7H,3-5H2,1-2H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9)/t;2*11-;;;;;9-;;;;;;;;;;;;;7-;;;/m.10....0............0.../s1
InChIKeyGMFOHVSFULMJBX-WNGOLRNSSA-N
XLogP56.26
TPSA338.35 Ų
H-Bond Donors1
H-Bond Acceptors39
Rotatable Bonds34
Heavy Atoms266
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003687.80
LogP ≤ 556.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1039

Analyze 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;bis(1-propan-2-ylazepane);4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;bis(1-propan-2-ylazepane);4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The IUPAC name of 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;bis(1-propan-2-ylazepane);4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole (CID 158298691) is 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;bis(1-propan-2-ylazepane);4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;bis(1-propan-2-ylazepane);4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The canonical SMILES for 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;bis(1-propan-2-ylazepane);4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole is CC(C)N1CCCCCC1.CC(C)N1CCCCCC1.CC(C)N1CC[C@H](F)C1.CC(C)N1CC[C@H](N(C)C)C1.CC(C)c1cccn1C.CC(C)c1ccn(C)n1.CC(C)c1ccnc(N2CCC(C)(F)C2)c1.CC(C)c1ccnc(N2CC[C@@H](C)C2)c1.CC(C)c1ccnc(N2CC[C@H](C)C2)c1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCC2)c1.CC1=C(C(C)C)C=NC1.CC1=NCC(C)=C1C(C)C.CC1CCN(c2cc(C(C)C)ccn2)C1.CCCn1cc(C(C)C)cn1.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1cccc(C(C)C)n1.Cc1coc(C)c1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)cc1C(C)C.
What is the InChIKey of 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;bis(1-propan-2-ylazepane);4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The InChIKey is GMFOHVSFULMJBX-WNGOLRNSSA-N. The full InChI is InChI=1S/C13H19FN2.3C13H20N2.C12H14N2.C11H18N2.C9H16N2.C9H20N2.2C9H16N2.C9H15N.C9H13N.2C9H19N.C9H14O.2C8H14N2.C8H13NS.2C8H13N.C7H14FN.3C7H12N2/c1-10(2)11-4-6-15-12(8-11)16-7-5-13(3,14)9-16;3*1-10(2)12-4-6-14-13(8-12)15-7-5-11(3)9-15;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-7(2)9-5-10-11(6-9)8(3)4;1-8(2)11-6-5-9(7-11)10(3)4;1-6(2)9-7(3)10-11(5)8(9)4;1-4-5-11-7-9(6-10-11)8(2)3;1-6(2)9-7(3)5-10-8(9)4;1-7(2)9-6-4-5-8(3)10-9;2*1-9(2)10-7-5-3-4-6-8-10;1-6(2)9-7(3)5-10-8(9)4;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-5(2)8-6(3)9-7(4)10-8;1-6(2)8-5-9-4-7(8)3;1-7(2)8-5-4-6-9(8)3;1-6(2)9-4-3-7(8)5-9;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-8-9-6(7)3/h4,6,8,10H,5,7,9H2,1-3H3;3*4,6,8,10-11H,5,7,9H2,1-3H3;3-10H,1-2H3;7-9,11H,3-6H2,1-2H3;5-8H,1-4H3;8-9H,5-7H2,1-4H3;6H,1-5H3;6-8H,4-5H2,1-3H3;6H,5H2,1-4H3;4-7H,1-3H3;2*9H,3-8H2,1-2H3;3*5-6H,1-4H3;5H,1-4H3;5-6H,4H2,1-3H3;4-7H,1-3H3;6-7H,3-5H2,1-2H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9)/t;2*11-;;;;;9-;;;;;;;;;;;;;7-;;;/m.10....0............0.../s1.
What are the key properties of 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;bis(1-propan-2-ylazepane);4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;bis(1-propan-2-ylazepane);4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole has a molecular weight of 3687.80 g/mol, XLogP of 56.26, 34 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;bis(1-propan-2-ylazepane);4-propan-2-yl-1-propylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 158298691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).