N-(4-chlorophenyl)-5-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-7-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H25ClN6O2 — CID 95813800

IUPACN-(4-chlorophenyl)-5-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-7-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCNc1cc([C@@H]2CC(=O)N(CC)C2)nc2c(C(=O)Nc3ccc(Cl)cc3)cnn12
InChIInChI=1S/C22H25ClN6O2/c1-3-9-24-19-11-18(14-10-20(30)28(4-2)13-14)27-21-17(12-25-29(19)21)22(31)26-16-7-5-15(23)6-8-16/h5-8,11-12,14,24H,3-4,9-10,13H2,1-2H3,(H,26,31)/t14-/m1/s1
InChIKeyARPUEPFABUPOHS-CQSZACIVSA-N
MW440.94 g/mol
LogP3.79
Rot. Bonds7

About N-(4-chlorophenyl)-5-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-7-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-chlorophenyl)-5-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-7-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 95813800) has the molecular formula C22H25ClN6O2 and a molecular weight of 440.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-7-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-7-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID95813800
Molecular FormulaC22H25ClN6O2
Molecular Weight440.94 g/mol
Exact Mass440.17
IUPAC NameN-(4-chlorophenyl)-5-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-7-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCNc1cc([C@@H]2CC(=O)N(CC)C2)nc2c(C(=O)Nc3ccc(Cl)cc3)cnn12
InChIInChI=1S/C22H25ClN6O2/c1-3-9-24-19-11-18(14-10-20(30)28(4-2)13-14)27-21-17(12-25-29(19)21)22(31)26-16-7-5-15(23)6-8-16/h5-8,11-12,14,24H,3-4,9-10,13H2,1-2H3,(H,26,31)/t14-/m1/s1
InChIKeyARPUEPFABUPOHS-CQSZACIVSA-N
XLogP3.79
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.94
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-chlorophenyl)-5-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-7-(propylamino)pyrazolo[1,5-a]pyrimidine-3-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

N-(4-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110089476
N-(3-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110252407
N-(4-chlorophenyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81238211
5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4051025
N-(4-chlorophenyl)-5-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110089373
5-cyclopropyl-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19449681
N-(4-chlorophenyl)-5-methyl-2-(propylamino)benzamide
CID 63501109
5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide
CID 166238811
5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46973392
3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide
CID 59799292
5-cyclopropyl-7-(difluoromethyl)-N-(4-fluoro-3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020711
N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide
CID 63501108

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-7-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-7-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 95813800) is N-(4-chlorophenyl)-5-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-7-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-7-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-7-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCNc1cc([C@@H]2CC(=O)N(CC)C2)nc2c(C(=O)Nc3ccc(Cl)cc3)cnn12.
What is the InChIKey of N-(4-chlorophenyl)-5-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-7-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ARPUEPFABUPOHS-CQSZACIVSA-N. The full InChI is InChI=1S/C22H25ClN6O2/c1-3-9-24-19-11-18(14-10-20(30)28(4-2)13-14)27-21-17(12-25-29(19)21)22(31)26-16-7-5-15(23)6-8-16/h5-8,11-12,14,24H,3-4,9-10,13H2,1-2H3,(H,26,31)/t14-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-5-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-7-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-chlorophenyl)-5-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-7-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 440.94 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-7-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 95813800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).