3,5-bis(4-chlorophenyl)-N-(2-methyl-3-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide

C29H23Cl2N3O — CID 56693519

IUPAC3,5-bis(4-chlorophenyl)-N-(2-methyl-3-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCc1c(NC(=O)N2N=C(c3ccc(Cl)cc3)CC2c2ccc(Cl)cc2)cccc1-c1ccccc1
InChIInChI=1S/C29H23Cl2N3O/c1-19-25(20-6-3-2-4-7-20)8-5-9-26(19)32-29(35)34-28(22-12-16-24(31)17-13-22)18-27(33-34)21-10-14-23(30)15-11-21/h2-17,28H,18H2,1H3,(H,32,35)
InChIKeyMVVSNYXMBXAQQN-UHFFFAOYSA-N
MW500.43 g/mol
LogP8.35
Rot. Bonds4

About 3,5-bis(4-chlorophenyl)-N-(2-methyl-3-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide

3,5-bis(4-chlorophenyl)-N-(2-methyl-3-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 56693519) has the molecular formula C29H23Cl2N3O and a molecular weight of 500.43 g/mol. Its IUPAC name is 3,5-bis(4-chlorophenyl)-N-(2-methyl-3-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3,5-bis(4-chlorophenyl)-N-(2-methyl-3-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID56693519
Molecular FormulaC29H23Cl2N3O
Molecular Weight500.43 g/mol
Exact Mass499.12
IUPAC Name3,5-bis(4-chlorophenyl)-N-(2-methyl-3-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCc1c(NC(=O)N2N=C(c3ccc(Cl)cc3)CC2c2ccc(Cl)cc2)cccc1-c1ccccc1
InChIInChI=1S/C29H23Cl2N3O/c1-19-25(20-6-3-2-4-7-20)8-5-9-26(19)32-29(35)34-28(22-12-16-24(31)17-13-22)18-27(33-34)21-10-14-23(30)15-11-21/h2-17,28H,18H2,1H3,(H,32,35)
InChIKeyMVVSNYXMBXAQQN-UHFFFAOYSA-N
XLogP8.35
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.43
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-bis(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 134111213
1-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 14741508
(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 101242618
1-[5-(4-chlorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 25147362
5-[(3R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 7058560
N,5-bis(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide
CID 67843236
2-[benzyl(methyl)amino]-1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 42845127
1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one
CID 5216035
1-[2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione
CID 66489035
1-[(3R)-3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 1234405
N-(4-methylphenyl)-3-[4-[2-[(4-methylphenyl)carbamothioyl]-5-phenyl-3,4-dihydropyrazol-3-yl]phenyl]-5-phenyl-3,4-dihydropyrazole-2-carbothioamide
CID 25197680
N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 40539104

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-chlorophenyl)-N-(2-methyl-3-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3,5-bis(4-chlorophenyl)-N-(2-methyl-3-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide (CID 56693519) is 3,5-bis(4-chlorophenyl)-N-(2-methyl-3-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3,5-bis(4-chlorophenyl)-N-(2-methyl-3-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3,5-bis(4-chlorophenyl)-N-(2-methyl-3-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide is Cc1c(NC(=O)N2N=C(c3ccc(Cl)cc3)CC2c2ccc(Cl)cc2)cccc1-c1ccccc1.
What is the InChIKey of 3,5-bis(4-chlorophenyl)-N-(2-methyl-3-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is MVVSNYXMBXAQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23Cl2N3O/c1-19-25(20-6-3-2-4-7-20)8-5-9-26(19)32-29(35)34-28(22-12-16-24(31)17-13-22)18-27(33-34)21-10-14-23(30)15-11-21/h2-17,28H,18H2,1H3,(H,32,35).
What are the key properties of 3,5-bis(4-chlorophenyl)-N-(2-methyl-3-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide?
3,5-bis(4-chlorophenyl)-N-(2-methyl-3-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 500.43 g/mol, XLogP of 8.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-chlorophenyl)-N-(2-methyl-3-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 56693519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).