3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide

C29H22ClN3O2 — CID 57036576

IUPAC3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
SMILESCc1ccc(-c2cn(C(=O)Nc3ccc(Oc4ccccc4)cc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C29H22ClN3O2/c1-20-7-9-21(10-8-20)27-19-33(32-28(27)22-11-13-23(30)14-12-22)29(34)31-24-15-17-26(18-16-24)35-25-5-3-2-4-6-25/h2-19H,1H3,(H,31,34)
InChIKeyNPXCJOHGVIGGHM-UHFFFAOYSA-N
MW479.97 g/mol
LogP8.05
Rot. Bonds5

About 3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide

3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide (PubChem CID 57036576) has the molecular formula C29H22ClN3O2 and a molecular weight of 479.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
PubChem CID57036576
Molecular FormulaC29H22ClN3O2
Molecular Weight479.97 g/mol
Exact Mass479.14
IUPAC Name3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
SMILESCc1ccc(-c2cn(C(=O)Nc3ccc(Oc4ccccc4)cc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C29H22ClN3O2/c1-20-7-9-21(10-8-20)27-19-33(32-28(27)22-11-13-23(30)14-12-22)29(34)31-24-15-17-26(18-16-24)35-25-5-3-2-4-6-25/h2-19H,1H3,(H,31,34)
InChIKeyNPXCJOHGVIGGHM-UHFFFAOYSA-N
XLogP8.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.97
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide
CID 57211760
3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
CID 57111578
3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide
CID 57078314
3-(4-chlorophenyl)-N-[4-(4-nitrophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
CID 57012967
3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
CID 57265619
3-(4-chlorophenyl)-N-[4-(4-hexoxyphenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
CID 57227443
3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57319763
3-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)pyrazole-1-carboxamide
CID 56982754
4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide
CID 2745789
3-(4-chlorophenyl)-N-(2,2-dimethyl-7-propan-2-yl-1,3-benzodioxol-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57190334
3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57015409
(4-chlorophenyl)-[5-methylsulfanyl-3-(4-phenoxyphenyl)pyrazol-1-yl]methanone;5-methylsulfanyl-3-(4-phenoxyphenyl)-N-phenylpyrazole-1-carboxamide
CID 68687423

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide (CID 57036576) is 3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide is Cc1ccc(-c2cn(C(=O)Nc3ccc(Oc4ccccc4)cc3)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide?
The InChIKey is NPXCJOHGVIGGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClN3O2/c1-20-7-9-21(10-8-20)27-19-33(32-28(27)22-11-13-23(30)14-12-22)29(34)31-24-15-17-26(18-16-24)35-25-5-3-2-4-6-25/h2-19H,1H3,(H,31,34).
What are the key properties of 3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide?
3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide has a molecular weight of 479.97 g/mol, XLogP of 8.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 57036576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).