(7S)-5-(4-chlorophenyl)-7-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H21ClN4O — CID 136888073

IUPAC(7S)-5-(4-chlorophenyl)-7-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1
InChIInChI=1S/C26H21ClN4O/c1-17-7-9-19(10-8-17)24-15-23(18-11-13-20(27)14-12-18)30-25-22(16-28-31(24)25)26(32)29-21-5-3-2-4-6-21/h2-16,24,30H,1H3,(H,29,32)/t24-/m0/s1
InChIKeyDDZRIUOQGNFBKL-DEOSSOPVSA-N
MW440.93 g/mol
LogP6.15
Rot. Bonds4

About (7S)-5-(4-chlorophenyl)-7-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(7S)-5-(4-chlorophenyl)-7-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136888073) has the molecular formula C26H21ClN4O and a molecular weight of 440.93 g/mol. Its IUPAC name is (7S)-5-(4-chlorophenyl)-7-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(7S)-5-(4-chlorophenyl)-7-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136888073
Molecular FormulaC26H21ClN4O
Molecular Weight440.93 g/mol
Exact Mass440.14
IUPAC Name(7S)-5-(4-chlorophenyl)-7-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1
InChIInChI=1S/C26H21ClN4O/c1-17-7-9-19(10-8-17)24-15-23(18-11-13-20(27)14-12-18)30-25-22(16-28-31(24)25)26(32)29-21-5-3-2-4-6-21/h2-16,24,30H,1H3,(H,29,32)/t24-/m0/s1
InChIKeyDDZRIUOQGNFBKL-DEOSSOPVSA-N
XLogP6.15
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.93
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-(4-ethoxyphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135548726
(7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136791539
5-(4-bromophenyl)-N,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135902891
7-(4-chlorophenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135629516
7-(2-fluorophenyl)-N,5-bis(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135551178
(7R)-5-(3-methoxyphenyl)-N-(4-methylphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136680193
7-(4-chlorophenyl)-5-methyl-3-N-(4-methylphenyl)-6-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 135551130
(7R)-5-(4-chlorophenyl)-N-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136680197
(7S)-N-(4-chlorophenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136791571
(7R)-7-(4-chlorophenyl)-3-[(4-chlorophenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136721940
(7S)-N-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136836328
(7R)-5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136823934

Frequently Asked Questions

What is the IUPAC name of (7S)-5-(4-chlorophenyl)-7-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (7S)-5-(4-chlorophenyl)-7-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136888073) is (7S)-5-(4-chlorophenyl)-7-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (7S)-5-(4-chlorophenyl)-7-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (7S)-5-(4-chlorophenyl)-7-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1.
What is the InChIKey of (7S)-5-(4-chlorophenyl)-7-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DDZRIUOQGNFBKL-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H21ClN4O/c1-17-7-9-19(10-8-17)24-15-23(18-11-13-20(27)14-12-18)30-25-22(16-28-31(24)25)26(32)29-21-5-3-2-4-6-21/h2-16,24,30H,1H3,(H,29,32)/t24-/m0/s1.
What are the key properties of (7S)-5-(4-chlorophenyl)-7-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
(7S)-5-(4-chlorophenyl)-7-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 440.93 g/mol, XLogP of 6.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-(4-chlorophenyl)-7-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136888073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).