1-(azetidin-3-ylmethyl)-3-tert-butylpyrrole;3-tert-butyl-5-cyclohexyl-4H-pyrazole;1-tert-butyl-5-ethyltetrazole;2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole;4-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-[2-(oxan-4-yl)ethyl]pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;5-tert-butyl-2-propan-2-yl-1H-imidazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]-1-methylpiperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-tert-butyl-1-pyrrolidin-2-ylimidazole;4-(1-tert-butyl-1,2,4-triazol-3-yl)-1-methylpiperidine

C136H239N33O3 — CID 159387027

IUPAC1-(azetidin-3-ylmethyl)-3-tert-butylpyrrole;3-tert-butyl-5-cyclohexyl-4H-pyrazole;1-tert-butyl-5-ethyltetrazole;2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole;4-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-[2-(oxan-4-yl)ethyl]pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;5-tert-butyl-2-propan-2-yl-1H-imidazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]-1-methylpiperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-tert-butyl-1-pyrrolidin-2-ylimidazole;4-(1-tert-butyl-1,2,4-triazol-3-yl)-1-methylpiperidine
SMILESCC(C)(C)C1=NN=C(C2CCCCC2)C1.CC(C)(C)c1cc(N2CCOCC2)n[nH]1.CC(C)(C)c1ccn(C2CCOCC2)n1.CC(C)(C)c1ccn(CC2CNC2)c1.CC(C)(C)c1cn(C2CCCN2)cn1.CC(C)(C)n1cc(CCC2CCOCC2)cn1.CC(C)c1ncc(C(C)(C)C)[nH]1.CCc1nnnn1C(C)(C)C.CN1CCC(CCn2cc(C(C)(C)C)cn2)CC1.CN1CCC(c2ncn(C(C)(C)C)n2)CC1.CN1CCCC1c1cnc(C(C)(C)C)[nH]1.Cc1nncn1C(C)(C)C
InChIInChI=1S/C15H27N3.C14H24N2O.C13H22N2.C12H22N4.C12H21N3.C12H20N2O.C12H20N2.C11H19N3O.C11H19N3.C10H18N2.C7H14N4.C7H13N3/c1-15(2,3)14-11-16-18(12-14)10-7-13-5-8-17(4)9-6-13;1-14(2,3)16-11-13(10-15-16)5-4-12-6-8-17-9-7-12;1-13(2,3)12-9-11(14-15-12)10-7-5-4-6-8-10;1-12(2,3)16-9-13-11(14-16)10-5-7-15(4)8-6-10;1-12(2,3)11-13-8-9(14-11)10-6-5-7-15(10)4;1-12(2,3)11-4-7-14(13-11)10-5-8-15-9-6-10;1-12(2,3)11-4-5-14(9-11)8-10-6-13-7-10;1-11(2,3)9-8-10(13-12-9)14-4-6-15-7-5-14;1-11(2,3)9-7-14(8-13-9)10-5-4-6-12-10;1-7(2)9-11-6-8(12-9)10(3,4)5;1-5-6-8-9-10-11(6)7(2,3)4;1-6-9-8-5-10(6)7(2,3)4/h11-13H,5-10H2,1-4H3;10-12H,4-9H2,1-3H3;10H,4-9H2,1-3H3;9-10H,5-8H2,1-4H3;8,10H,5-7H2,1-4H3,(H,13,14);4,7,10H,5-6,8-9H2,1-3H3;4-5,9-10,13H,6-8H2,1-3H3;8H,4-7H2,1-3H3,(H,12,13);7-8,10,12H,4-6H2,1-3H3;6-7H,1-5H3,(H,11,12);5H2,1-4H3;5H,1-4H3
InChIKeyLLPYDMTWSMKJFH-UHFFFAOYSA-N
MW2384.64 g/mol
LogP27.35
Rot. Bonds16

About 1-(azetidin-3-ylmethyl)-3-tert-butylpyrrole;3-tert-butyl-5-cyclohexyl-4H-pyrazole;1-tert-butyl-5-ethyltetrazole;2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole;4-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-[2-(oxan-4-yl)ethyl]pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;5-tert-butyl-2-propan-2-yl-1H-imidazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]-1-methylpiperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-tert-butyl-1-pyrrolidin-2-ylimidazole;4-(1-tert-butyl-1,2,4-triazol-3-yl)-1-methylpiperidine

1-(azetidin-3-ylmethyl)-3-tert-butylpyrrole;3-tert-butyl-5-cyclohexyl-4H-pyrazole;1-tert-butyl-5-ethyltetrazole;2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole;4-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-[2-(oxan-4-yl)ethyl]pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;5-tert-butyl-2-propan-2-yl-1H-imidazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]-1-methylpiperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-tert-butyl-1-pyrrolidin-2-ylimidazole;4-(1-tert-butyl-1,2,4-triazol-3-yl)-1-methylpiperidine (PubChem CID 159387027) has the molecular formula C136H239N33O3 and a molecular weight of 2384.64 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-3-tert-butylpyrrole;3-tert-butyl-5-cyclohexyl-4H-pyrazole;1-tert-butyl-5-ethyltetrazole;2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole;4-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-[2-(oxan-4-yl)ethyl]pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;5-tert-butyl-2-propan-2-yl-1H-imidazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]-1-methylpiperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-tert-butyl-1-pyrrolidin-2-ylimidazole;4-(1-tert-butyl-1,2,4-triazol-3-yl)-1-methylpiperidine.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-3-tert-butylpyrrole;3-tert-butyl-5-cyclohexyl-4H-pyrazole;1-tert-butyl-5-ethyltetrazole;2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole;4-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-[2-(oxan-4-yl)ethyl]pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;5-tert-butyl-2-propan-2-yl-1H-imidazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]-1-methylpiperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-tert-butyl-1-pyrrolidin-2-ylimidazole;4-(1-tert-butyl-1,2,4-triazol-3-yl)-1-methylpiperidine
PubChem CID159387027
Molecular FormulaC136H239N33O3
Molecular Weight2384.64 g/mol
Exact Mass2382.96
IUPAC Name1-(azetidin-3-ylmethyl)-3-tert-butylpyrrole;3-tert-butyl-5-cyclohexyl-4H-pyrazole;1-tert-butyl-5-ethyltetrazole;2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole;4-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-[2-(oxan-4-yl)ethyl]pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;5-tert-butyl-2-propan-2-yl-1H-imidazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]-1-methylpiperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-tert-butyl-1-pyrrolidin-2-ylimidazole;4-(1-tert-butyl-1,2,4-triazol-3-yl)-1-methylpiperidine
SMILESCC(C)(C)C1=NN=C(C2CCCCC2)C1.CC(C)(C)c1cc(N2CCOCC2)n[nH]1.CC(C)(C)c1ccn(C2CCOCC2)n1.CC(C)(C)c1ccn(CC2CNC2)c1.CC(C)(C)c1cn(C2CCCN2)cn1.CC(C)(C)n1cc(CCC2CCOCC2)cn1.CC(C)c1ncc(C(C)(C)C)[nH]1.CCc1nnnn1C(C)(C)C.CN1CCC(CCn2cc(C(C)(C)C)cn2)CC1.CN1CCC(c2ncn(C(C)(C)C)n2)CC1.CN1CCCC1c1cnc(C(C)(C)C)[nH]1.Cc1nncn1C(C)(C)C
InChIInChI=1S/C15H27N3.C14H24N2O.C13H22N2.C12H22N4.C12H21N3.C12H20N2O.C12H20N2.C11H19N3O.C11H19N3.C10H18N2.C7H14N4.C7H13N3/c1-15(2,3)14-11-16-18(12-14)10-7-13-5-8-17(4)9-6-13;1-14(2,3)16-11-13(10-15-16)5-4-12-6-8-17-9-7-12;1-13(2,3)12-9-11(14-15-12)10-7-5-4-6-8-10;1-12(2,3)16-9-13-11(14-16)10-5-7-15(4)8-6-10;1-12(2,3)11-13-8-9(14-11)10-6-5-7-15(10)4;1-12(2,3)11-4-7-14(13-11)10-5-8-15-9-6-10;1-12(2,3)11-4-5-14(9-11)8-10-6-13-7-10;1-11(2,3)9-8-10(13-12-9)14-4-6-15-7-5-14;1-11(2,3)9-7-14(8-13-9)10-5-4-6-12-10;1-7(2)9-11-6-8(12-9)10(3,4)5;1-5-6-8-9-10-11(6)7(2,3)4;1-6-9-8-5-10(6)7(2,3)4/h11-13H,5-10H2,1-4H3;10-12H,4-9H2,1-3H3;10H,4-9H2,1-3H3;9-10H,5-8H2,1-4H3;8,10H,5-7H2,1-4H3,(H,13,14);4,7,10H,5-6,8-9H2,1-3H3;4-5,9-10,13H,6-8H2,1-3H3;8H,4-7H2,1-3H3,(H,12,13);7-8,10,12H,4-6H2,1-3H3;6-7H,1-5H3,(H,11,12);5H2,1-4H3;5H,1-4H3
InChIKeyLLPYDMTWSMKJFH-UHFFFAOYSA-N
XLogP27.35
TPSA356.70 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds16
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002384.64
LogP ≤ 527.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Analyze 1-(azetidin-3-ylmethyl)-3-tert-butylpyrrole;3-tert-butyl-5-cyclohexyl-4H-pyrazole;1-tert-butyl-5-ethyltetrazole;2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole;4-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-[2-(oxan-4-yl)ethyl]pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;5-tert-butyl-2-propan-2-yl-1H-imidazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]-1-methylpiperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-tert-butyl-1-pyrrolidin-2-ylimidazole;4-(1-tert-butyl-1,2,4-triazol-3-yl)-1-methylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-3-tert-butylpyrrole;3-tert-butyl-5-cyclohexyl-4H-pyrazole;1-tert-butyl-5-ethyltetrazole;2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole;4-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-[2-(oxan-4-yl)ethyl]pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;5-tert-butyl-2-propan-2-yl-1H-imidazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]-1-methylpiperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-tert-butyl-1-pyrrolidin-2-ylimidazole;4-(1-tert-butyl-1,2,4-triazol-3-yl)-1-methylpiperidine?
The IUPAC name of 1-(azetidin-3-ylmethyl)-3-tert-butylpyrrole;3-tert-butyl-5-cyclohexyl-4H-pyrazole;1-tert-butyl-5-ethyltetrazole;2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole;4-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-[2-(oxan-4-yl)ethyl]pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;5-tert-butyl-2-propan-2-yl-1H-imidazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]-1-methylpiperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-tert-butyl-1-pyrrolidin-2-ylimidazole;4-(1-tert-butyl-1,2,4-triazol-3-yl)-1-methylpiperidine (CID 159387027) is 1-(azetidin-3-ylmethyl)-3-tert-butylpyrrole;3-tert-butyl-5-cyclohexyl-4H-pyrazole;1-tert-butyl-5-ethyltetrazole;2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole;4-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-[2-(oxan-4-yl)ethyl]pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;5-tert-butyl-2-propan-2-yl-1H-imidazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]-1-methylpiperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-tert-butyl-1-pyrrolidin-2-ylimidazole;4-(1-tert-butyl-1,2,4-triazol-3-yl)-1-methylpiperidine.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-3-tert-butylpyrrole;3-tert-butyl-5-cyclohexyl-4H-pyrazole;1-tert-butyl-5-ethyltetrazole;2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole;4-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-[2-(oxan-4-yl)ethyl]pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;5-tert-butyl-2-propan-2-yl-1H-imidazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]-1-methylpiperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-tert-butyl-1-pyrrolidin-2-ylimidazole;4-(1-tert-butyl-1,2,4-triazol-3-yl)-1-methylpiperidine?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-3-tert-butylpyrrole;3-tert-butyl-5-cyclohexyl-4H-pyrazole;1-tert-butyl-5-ethyltetrazole;2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole;4-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-[2-(oxan-4-yl)ethyl]pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;5-tert-butyl-2-propan-2-yl-1H-imidazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]-1-methylpiperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-tert-butyl-1-pyrrolidin-2-ylimidazole;4-(1-tert-butyl-1,2,4-triazol-3-yl)-1-methylpiperidine is CC(C)(C)C1=NN=C(C2CCCCC2)C1.CC(C)(C)c1cc(N2CCOCC2)n[nH]1.CC(C)(C)c1ccn(C2CCOCC2)n1.CC(C)(C)c1ccn(CC2CNC2)c1.CC(C)(C)c1cn(C2CCCN2)cn1.CC(C)(C)n1cc(CCC2CCOCC2)cn1.CC(C)c1ncc(C(C)(C)C)[nH]1.CCc1nnnn1C(C)(C)C.CN1CCC(CCn2cc(C(C)(C)C)cn2)CC1.CN1CCC(c2ncn(C(C)(C)C)n2)CC1.CN1CCCC1c1cnc(C(C)(C)C)[nH]1.Cc1nncn1C(C)(C)C.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-3-tert-butylpyrrole;3-tert-butyl-5-cyclohexyl-4H-pyrazole;1-tert-butyl-5-ethyltetrazole;2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole;4-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-[2-(oxan-4-yl)ethyl]pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;5-tert-butyl-2-propan-2-yl-1H-imidazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]-1-methylpiperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-tert-butyl-1-pyrrolidin-2-ylimidazole;4-(1-tert-butyl-1,2,4-triazol-3-yl)-1-methylpiperidine?
The InChIKey is LLPYDMTWSMKJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3.C14H24N2O.C13H22N2.C12H22N4.C12H21N3.C12H20N2O.C12H20N2.C11H19N3O.C11H19N3.C10H18N2.C7H14N4.C7H13N3/c1-15(2,3)14-11-16-18(12-14)10-7-13-5-8-17(4)9-6-13;1-14(2,3)16-11-13(10-15-16)5-4-12-6-8-17-9-7-12;1-13(2,3)12-9-11(14-15-12)10-7-5-4-6-8-10;1-12(2,3)16-9-13-11(14-16)10-5-7-15(4)8-6-10;1-12(2,3)11-13-8-9(14-11)10-6-5-7-15(10)4;1-12(2,3)11-4-7-14(13-11)10-5-8-15-9-6-10;1-12(2,3)11-4-5-14(9-11)8-10-6-13-7-10;1-11(2,3)9-8-10(13-12-9)14-4-6-15-7-5-14;1-11(2,3)9-7-14(8-13-9)10-5-4-6-12-10;1-7(2)9-11-6-8(12-9)10(3,4)5;1-5-6-8-9-10-11(6)7(2,3)4;1-6-9-8-5-10(6)7(2,3)4/h11-13H,5-10H2,1-4H3;10-12H,4-9H2,1-3H3;10H,4-9H2,1-3H3;9-10H,5-8H2,1-4H3;8,10H,5-7H2,1-4H3,(H,13,14);4,7,10H,5-6,8-9H2,1-3H3;4-5,9-10,13H,6-8H2,1-3H3;8H,4-7H2,1-3H3,(H,12,13);7-8,10,12H,4-6H2,1-3H3;6-7H,1-5H3,(H,11,12);5H2,1-4H3;5H,1-4H3.
What are the key properties of 1-(azetidin-3-ylmethyl)-3-tert-butylpyrrole;3-tert-butyl-5-cyclohexyl-4H-pyrazole;1-tert-butyl-5-ethyltetrazole;2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole;4-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-[2-(oxan-4-yl)ethyl]pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;5-tert-butyl-2-propan-2-yl-1H-imidazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]-1-methylpiperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-tert-butyl-1-pyrrolidin-2-ylimidazole;4-(1-tert-butyl-1,2,4-triazol-3-yl)-1-methylpiperidine?
1-(azetidin-3-ylmethyl)-3-tert-butylpyrrole;3-tert-butyl-5-cyclohexyl-4H-pyrazole;1-tert-butyl-5-ethyltetrazole;2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole;4-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-[2-(oxan-4-yl)ethyl]pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;5-tert-butyl-2-propan-2-yl-1H-imidazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]-1-methylpiperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-tert-butyl-1-pyrrolidin-2-ylimidazole;4-(1-tert-butyl-1,2,4-triazol-3-yl)-1-methylpiperidine has a molecular weight of 2384.64 g/mol, XLogP of 27.35, 16 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-3-tert-butylpyrrole;3-tert-butyl-5-cyclohexyl-4H-pyrazole;1-tert-butyl-5-ethyltetrazole;2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole;4-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-[2-(oxan-4-yl)ethyl]pyrazole;3-tert-butyl-1-(oxan-4-yl)pyrazole;5-tert-butyl-2-propan-2-yl-1H-imidazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]-1-methylpiperidine;4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine;4-tert-butyl-1-pyrrolidin-2-ylimidazole;4-(1-tert-butyl-1,2,4-triazol-3-yl)-1-methylpiperidine is sourced from PubChem (CID 159387027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).