4-(1-benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine

C112H135F2N13O2S — CID 160812292

IUPAC4-(1-benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine
SMILESCOc1ccccc1-c1cc(C)nc(C(C)C)c1.Cc1cc(-c2cccnc2)cc(C(C)C)n1.Cc1cc(-c2ccoc2)cc(C(C)C)n1.Cc1cc(-c2ccsc2)cc(C(C)C)n1.Cc1cc(-c2cnn(C(F)F)c2)cc(C(C)C)n1.Cc1cc(-c2cnn(Cc3ccccc3)c2)cc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1.Cc1cc(C2=CCCC2)cc(C(C)C)n1
InChIInChI=1S/C19H21N3.C16H19NO.C14H16N2.C14H19N.C13H15F2N3.C13H15NO.C13H15NS.C10H15N/c1-14(2)19-10-17(9-15(3)21-19)18-11-20-22(13-18)12-16-7-5-4-6-8-16;1-11(2)15-10-13(9-12(3)17-15)14-7-5-6-8-16(14)18-4;1-10(2)14-8-13(7-11(3)16-14)12-5-4-6-15-9-12;1-10(2)14-9-13(8-11(3)15-14)12-6-4-5-7-12;1-8(2)12-5-10(4-9(3)17-12)11-6-16-18(7-11)13(14)15;2*1-9(2)13-7-12(6-10(3)14-13)11-4-5-15-8-11;1-7(2)10-6-8(3)5-9(4)11-10/h4-11,13-14H,12H2,1-3H3;5-11H,1-4H3;4-10H,1-3H3;6,8-10H,4-5,7H2,1-3H3;4-8,13H,1-3H3;2*4-9H,1-3H3;5-7H,1-4H3
InChIKeySELKSKQQXSETQT-UHFFFAOYSA-N
MW1765.46 g/mol
LogP30.88
Rot. Bonds19

About 4-(1-benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine

4-(1-benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine (PubChem CID 160812292) has the molecular formula C112H135F2N13O2S and a molecular weight of 1765.46 g/mol. Its IUPAC name is 4-(1-benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine.

Molecular Properties

Compound Name4-(1-benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine
PubChem CID160812292
Molecular FormulaC112H135F2N13O2S
Molecular Weight1765.46 g/mol
Exact Mass1764.06
IUPAC Name4-(1-benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine
SMILESCOc1ccccc1-c1cc(C)nc(C(C)C)c1.Cc1cc(-c2cccnc2)cc(C(C)C)n1.Cc1cc(-c2ccoc2)cc(C(C)C)n1.Cc1cc(-c2ccsc2)cc(C(C)C)n1.Cc1cc(-c2cnn(C(F)F)c2)cc(C(C)C)n1.Cc1cc(-c2cnn(Cc3ccccc3)c2)cc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1.Cc1cc(C2=CCCC2)cc(C(C)C)n1
InChIInChI=1S/C19H21N3.C16H19NO.C14H16N2.C14H19N.C13H15F2N3.C13H15NO.C13H15NS.C10H15N/c1-14(2)19-10-17(9-15(3)21-19)18-11-20-22(13-18)12-16-7-5-4-6-8-16;1-11(2)15-10-13(9-12(3)17-15)14-7-5-6-8-16(14)18-4;1-10(2)14-8-13(7-11(3)16-14)12-5-4-6-15-9-12;1-10(2)14-9-13(8-11(3)15-14)12-6-4-5-7-12;1-8(2)12-5-10(4-9(3)17-12)11-6-16-18(7-11)13(14)15;2*1-9(2)13-7-12(6-10(3)14-13)11-4-5-15-8-11;1-7(2)10-6-8(3)5-9(4)11-10/h4-11,13-14H,12H2,1-3H3;5-11H,1-4H3;4-10H,1-3H3;6,8-10H,4-5,7H2,1-3H3;4-8,13H,1-3H3;2*4-9H,1-3H3;5-7H,1-4H3
InChIKeySELKSKQQXSETQT-UHFFFAOYSA-N
XLogP30.88
TPSA174.02 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms130
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001765.46
LogP ≤ 530.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-(1-benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine?
The IUPAC name of 4-(1-benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine (CID 160812292) is 4-(1-benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine.
What is the SMILES notation for 4-(1-benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine?
The canonical SMILES for 4-(1-benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine is COc1ccccc1-c1cc(C)nc(C(C)C)c1.Cc1cc(-c2cccnc2)cc(C(C)C)n1.Cc1cc(-c2ccoc2)cc(C(C)C)n1.Cc1cc(-c2ccsc2)cc(C(C)C)n1.Cc1cc(-c2cnn(C(F)F)c2)cc(C(C)C)n1.Cc1cc(-c2cnn(Cc3ccccc3)c2)cc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1.Cc1cc(C2=CCCC2)cc(C(C)C)n1.
What is the InChIKey of 4-(1-benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine?
The InChIKey is SELKSKQQXSETQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3.C16H19NO.C14H16N2.C14H19N.C13H15F2N3.C13H15NO.C13H15NS.C10H15N/c1-14(2)19-10-17(9-15(3)21-19)18-11-20-22(13-18)12-16-7-5-4-6-8-16;1-11(2)15-10-13(9-12(3)17-15)14-7-5-6-8-16(14)18-4;1-10(2)14-8-13(7-11(3)16-14)12-5-4-6-15-9-12;1-10(2)14-9-13(8-11(3)15-14)12-6-4-5-7-12;1-8(2)12-5-10(4-9(3)17-12)11-6-16-18(7-11)13(14)15;2*1-9(2)13-7-12(6-10(3)14-13)11-4-5-15-8-11;1-7(2)10-6-8(3)5-9(4)11-10/h4-11,13-14H,12H2,1-3H3;5-11H,1-4H3;4-10H,1-3H3;6,8-10H,4-5,7H2,1-3H3;4-8,13H,1-3H3;2*4-9H,1-3H3;5-7H,1-4H3.
What are the key properties of 4-(1-benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine?
4-(1-benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine has a molecular weight of 1765.46 g/mol, XLogP of 30.88, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(cyclopenten-1-yl)-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(furan-3-yl)-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-pyridin-3-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine is sourced from PubChem (CID 160812292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).