(7R)-N-(4-chlorophenyl)-2,5-dimethyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H18ClN5O3 — CID 136798128

IUPAC(7R)-N-(4-chlorophenyl)-2,5-dimethyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nc(C)cc2N1
InChIInChI=1S/C21H18ClN5O3/c1-12-11-18-23-13(2)19(21(28)24-16-7-5-15(22)6-8-16)20(26(18)25-12)14-3-9-17(10-4-14)27(29)30/h3-11,20,23H,1-2H3,(H,24,28)/t20-/m1/s1
InChIKeyVTSQSZYBPIIICA-HXUWFJFHSA-N
MW423.86 g/mol
LogP4.68
Rot. Bonds4

About (7R)-N-(4-chlorophenyl)-2,5-dimethyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

(7R)-N-(4-chlorophenyl)-2,5-dimethyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 136798128) has the molecular formula C21H18ClN5O3 and a molecular weight of 423.86 g/mol. Its IUPAC name is (7R)-N-(4-chlorophenyl)-2,5-dimethyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7R)-N-(4-chlorophenyl)-2,5-dimethyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID136798128
Molecular FormulaC21H18ClN5O3
Molecular Weight423.86 g/mol
Exact Mass423.11
IUPAC Name(7R)-N-(4-chlorophenyl)-2,5-dimethyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nc(C)cc2N1
InChIInChI=1S/C21H18ClN5O3/c1-12-11-18-23-13(2)19(21(28)24-16-7-5-15(22)6-8-16)20(26(18)25-12)14-3-9-17(10-4-14)27(29)30/h3-11,20,23H,1-2H3,(H,24,28)/t20-/m1/s1
InChIKeyVTSQSZYBPIIICA-HXUWFJFHSA-N
XLogP4.68
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.86
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (7R)-N-(4-chlorophenyl)-2,5-dimethyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7R)-6-N-(4-chlorophenyl)-5-methyl-7-(4-nitrophenyl)-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136720111
2-(4-chlorophenyl)-5-methyl-7-(4-nitrophenyl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3580234
(4R)-N-(4-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
CID 92698710
(7S)-N-(4-chlorophenyl)-5-methyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135679982
2-(4-chlorophenyl)-5-methyl-7-(4-nitrophenyl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4175331
N-(4-chlorophenyl)-5-methyl-7-(3-nitrophenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135936463
5-methyl-2-(3-nitrophenyl)-7-(4-nitrophenyl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135600851
5-methyl-2-(4-nitrophenyl)-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135551339
(7R)-5-methyl-3-N-(4-methylphenyl)-7-(4-nitrophenyl)-6-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136865084
5-methyl-N-(3-methylphenyl)-7-(4-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135662787
2-(4-chlorophenyl)-5-methyl-7-(3-nitrophenyl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3451144
(7S)-3-N-(4-fluorophenyl)-5-methyl-7-(4-nitrophenyl)-6-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136768197

Frequently Asked Questions

What is the IUPAC name of (7R)-N-(4-chlorophenyl)-2,5-dimethyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7R)-N-(4-chlorophenyl)-2,5-dimethyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 136798128) is (7R)-N-(4-chlorophenyl)-2,5-dimethyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7R)-N-(4-chlorophenyl)-2,5-dimethyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7R)-N-(4-chlorophenyl)-2,5-dimethyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nc(C)cc2N1.
What is the InChIKey of (7R)-N-(4-chlorophenyl)-2,5-dimethyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is VTSQSZYBPIIICA-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18ClN5O3/c1-12-11-18-23-13(2)19(21(28)24-16-7-5-15(22)6-8-16)20(26(18)25-12)14-3-9-17(10-4-14)27(29)30/h3-11,20,23H,1-2H3,(H,24,28)/t20-/m1/s1.
What are the key properties of (7R)-N-(4-chlorophenyl)-2,5-dimethyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
(7R)-N-(4-chlorophenyl)-2,5-dimethyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 423.86 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-(4-chlorophenyl)-2,5-dimethyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 136798128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).