4-[4-[4-(2-methylpropyl)phenyl]pyrazol-1-yl]-2-propylpyridine;N-(2-methylpropyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;2-(2-methylpropyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]cyclopropanesulfonamide

C81H96N16O2S — CID 158806037

IUPAC4-[4-[4-(2-methylpropyl)phenyl]pyrazol-1-yl]-2-propylpyridine;N-(2-methylpropyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;2-(2-methylpropyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]cyclopropanesulfonamide
SMILESCCCc1cc(-n2cc(-c3ccc(CC(C)C)cc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(CC(C)C)nc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(NCC(C)C)cc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(NS(=O)(=O)C4CC4)nc3)cn2)ccn1
InChIInChI=1S/C21H26N4.C21H25N3.C20H24N4.C19H21N5O2S/c1-4-5-20-12-21(10-11-22-20)25-15-18(14-24-25)17-6-8-19(9-7-17)23-13-16(2)3;1-4-5-20-13-21(10-11-22-20)24-15-19(14-23-24)18-8-6-17(7-9-18)12-16(2)3;1-4-5-18-11-20(8-9-21-18)24-14-17(13-23-24)16-6-7-19(22-12-16)10-15(2)3;1-2-3-16-10-17(8-9-20-16)24-13-15(12-22-24)14-4-7-19(21-11-14)23-27(25,26)18-5-6-18/h6-12,14-16,23H,4-5,13H2,1-3H3;6-11,13-16H,4-5,12H2,1-3H3;6-9,11-15H,4-5,10H2,1-3H3;4,7-13,18H,2-3,5-6H2,1H3,(H,21,23)
InChIKeyIUBYHGYFSDTOPJ-UHFFFAOYSA-N
MW1357.84 g/mol
LogP17.71
Rot. Bonds26

About 4-[4-[4-(2-methylpropyl)phenyl]pyrazol-1-yl]-2-propylpyridine;N-(2-methylpropyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;2-(2-methylpropyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]cyclopropanesulfonamide

4-[4-[4-(2-methylpropyl)phenyl]pyrazol-1-yl]-2-propylpyridine;N-(2-methylpropyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;2-(2-methylpropyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]cyclopropanesulfonamide (PubChem CID 158806037) has the molecular formula C81H96N16O2S and a molecular weight of 1357.84 g/mol. Its IUPAC name is 4-[4-[4-(2-methylpropyl)phenyl]pyrazol-1-yl]-2-propylpyridine;N-(2-methylpropyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;2-(2-methylpropyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound Name4-[4-[4-(2-methylpropyl)phenyl]pyrazol-1-yl]-2-propylpyridine;N-(2-methylpropyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;2-(2-methylpropyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]cyclopropanesulfonamide
PubChem CID158806037
Molecular FormulaC81H96N16O2S
Molecular Weight1357.84 g/mol
Exact Mass1356.76
IUPAC Name4-[4-[4-(2-methylpropyl)phenyl]pyrazol-1-yl]-2-propylpyridine;N-(2-methylpropyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;2-(2-methylpropyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]cyclopropanesulfonamide
SMILESCCCc1cc(-n2cc(-c3ccc(CC(C)C)cc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(CC(C)C)nc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(NCC(C)C)cc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(NS(=O)(=O)C4CC4)nc3)cn2)ccn1
InChIInChI=1S/C21H26N4.C21H25N3.C20H24N4.C19H21N5O2S/c1-4-5-20-12-21(10-11-22-20)25-15-18(14-24-25)17-6-8-19(9-7-17)23-13-16(2)3;1-4-5-20-13-21(10-11-22-20)24-15-19(14-23-24)18-8-6-17(7-9-18)12-16(2)3;1-4-5-18-11-20(8-9-21-18)24-14-17(13-23-24)16-6-7-19(22-12-16)10-15(2)3;1-2-3-16-10-17(8-9-20-16)24-13-15(12-22-24)14-4-7-19(21-11-14)23-27(25,26)18-5-6-18/h6-12,14-16,23H,4-5,13H2,1-3H3;6-11,13-16H,4-5,12H2,1-3H3;6-9,11-15H,4-5,10H2,1-3H3;4,7-13,18H,2-3,5-6H2,1H3,(H,21,23)
InChIKeyIUBYHGYFSDTOPJ-UHFFFAOYSA-N
XLogP17.71
TPSA206.82 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds26
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001357.84
LogP ≤ 517.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 4-[4-[4-(2-methylpropyl)phenyl]pyrazol-1-yl]-2-propylpyridine;N-(2-methylpropyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;2-(2-methylpropyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]cyclopropanesulfonamide with MolForge

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Related Compounds

N-[5-[3-[[2-(cyclopentylamino)-5-[3,5-dimethyl-1-(2-propylpyridin-4-yl)pyrazol-4-yl]pyridin-4-yl]methyl]-5-methyl-1-(2-propylpyridin-4-yl)pyrazol-4-yl]pyridin-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 138627194
2-(cyclobutylmethyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(2-cyclopropylethyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(3-methylbutyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(2-methylpropyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[4-[1-(3-propan-2-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;1,1,1-trifluoro-N-[5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]methanesulfonamide
CID 159696632
N-tert-butyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;2-(cyclobutylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-cyclopentyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-1,1,1-trifluoromethanesulfonamide;N-propan-2-yl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide
CID 159973917
N-tert-butyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;2-(cyclobutylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-N-propan-2-ylpyridin-2-amine;N-[5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]methanesulfonamide;N-[5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]-1,1,1-trifluoromethanesulfonamide;N-propan-2-yl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine
CID 160761077
N-[5-[2-amino-4-[(2-propyl-4-pyridinyl)imino]pent-2-en-3-yl]-2-pyridinyl]-1,1,1-trifluoromethanesulfonamide;N-tert-butyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-cyclobutyl-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-2-amine;N-cyclopentyl-5-[3,5-dimethyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-2-amine;N-propan-2-yl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide
CID 168428351
2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-[4-[(dimethylamino)methyl]cyclohexyl]-5-[5-(2-fluoropropan-2-yl)-2-pyridinyl]pyridine-2,4-diamine
CID 175856498
2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-4-N-[4-[(dimethylamino)methyl]cyclohexyl]pyridine-2,4-diamine
CID 175856532
N-[5-[1-[2-[4-[3,5-dimethyl-4-[6-(propan-2-ylamino)-3-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]-3,5-dimethylpyrazol-4-yl]-2-pyridinyl]methanesulfonamide
CID 138627170
1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide
CID 145393713
1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-(methyl-methylidene-oxo-lambda6-sulfanyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-propan-2-yl-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide
CID 159058282
1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-(methyl-methylidene-oxo-lambda6-sulfanyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-3-yl]aniline;N-(methyl-methylidene-oxo-lambda6-sulfanyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-propan-2-yl-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide
CID 159182632
trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-ethylsulfonylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 159586806

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-methylpropyl)phenyl]pyrazol-1-yl]-2-propylpyridine;N-(2-methylpropyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;2-(2-methylpropyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of 4-[4-[4-(2-methylpropyl)phenyl]pyrazol-1-yl]-2-propylpyridine;N-(2-methylpropyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;2-(2-methylpropyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]cyclopropanesulfonamide (CID 158806037) is 4-[4-[4-(2-methylpropyl)phenyl]pyrazol-1-yl]-2-propylpyridine;N-(2-methylpropyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;2-(2-methylpropyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for 4-[4-[4-(2-methylpropyl)phenyl]pyrazol-1-yl]-2-propylpyridine;N-(2-methylpropyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;2-(2-methylpropyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for 4-[4-[4-(2-methylpropyl)phenyl]pyrazol-1-yl]-2-propylpyridine;N-(2-methylpropyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;2-(2-methylpropyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]cyclopropanesulfonamide is CCCc1cc(-n2cc(-c3ccc(CC(C)C)cc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(CC(C)C)nc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(NCC(C)C)cc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(NS(=O)(=O)C4CC4)nc3)cn2)ccn1.
What is the InChIKey of 4-[4-[4-(2-methylpropyl)phenyl]pyrazol-1-yl]-2-propylpyridine;N-(2-methylpropyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;2-(2-methylpropyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]cyclopropanesulfonamide?
The InChIKey is IUBYHGYFSDTOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4.C21H25N3.C20H24N4.C19H21N5O2S/c1-4-5-20-12-21(10-11-22-20)25-15-18(14-24-25)17-6-8-19(9-7-17)23-13-16(2)3;1-4-5-20-13-21(10-11-22-20)24-15-19(14-23-24)18-8-6-17(7-9-18)12-16(2)3;1-4-5-18-11-20(8-9-21-18)24-14-17(13-23-24)16-6-7-19(22-12-16)10-15(2)3;1-2-3-16-10-17(8-9-20-16)24-13-15(12-22-24)14-4-7-19(21-11-14)23-27(25,26)18-5-6-18/h6-12,14-16,23H,4-5,13H2,1-3H3;6-11,13-16H,4-5,12H2,1-3H3;6-9,11-15H,4-5,10H2,1-3H3;4,7-13,18H,2-3,5-6H2,1H3,(H,21,23).
What are the key properties of 4-[4-[4-(2-methylpropyl)phenyl]pyrazol-1-yl]-2-propylpyridine;N-(2-methylpropyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;2-(2-methylpropyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]cyclopropanesulfonamide?
4-[4-[4-(2-methylpropyl)phenyl]pyrazol-1-yl]-2-propylpyridine;N-(2-methylpropyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;2-(2-methylpropyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]cyclopropanesulfonamide has a molecular weight of 1357.84 g/mol, XLogP of 17.71, 26 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2-methylpropyl)phenyl]pyrazol-1-yl]-2-propylpyridine;N-(2-methylpropyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;2-(2-methylpropyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 158806037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).