N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide

C23H21ClN4O — CID 93009055

IUPACN-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C23H21ClN4O/c1-3-15(2)25-23(29)21-13-20(17-11-7-8-12-18(17)24)26-22-14-19(27-28(21)22)16-9-5-4-6-10-16/h4-15H,3H2,1-2H3,(H,25,29)/t15-/m0/s1
InChIKeyCJRAXNMVCXHXNF-HNNXBMFYSA-N
MW404.90 g/mol
LogP5.24
Rot. Bonds5

About N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide

N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 93009055) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID93009055
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC NameN-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C23H21ClN4O/c1-3-15(2)25-23(29)21-13-20(17-11-7-8-12-18(17)24)26-22-14-19(27-28(21)22)16-9-5-4-6-10-16/h4-15H,3H2,1-2H3,(H,25,29)/t15-/m0/s1
InChIKeyCJRAXNMVCXHXNF-HNNXBMFYSA-N
XLogP5.24
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93008842
N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079790
N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42759382
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 812204
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 7218983
ethyl (3S)-1-[5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl]piperidine-3-carboxylate
CID 93009059
2-(4-chlorophenyl)-5-(2-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877638
5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93009070
N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45217078
2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079173
N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811834
N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 7249045

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 93009055) is N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide is CC[C@H](C)NC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is CJRAXNMVCXHXNF-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c1-3-15(2)25-23(29)21-13-20(17-11-7-8-12-18(17)24)26-22-14-19(27-28(21)22)16-9-5-4-6-10-16/h4-15H,3H2,1-2H3,(H,25,29)/t15-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 93009055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).