N-(2-chloro-4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H15ClN4O2 — CID 86860357

IUPACN-(2-chloro-4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c(Cl)c1
InChIInChI=1S/C20H15ClN4O2/c1-27-14-7-8-17(16(21)11-14)24-20(26)15-12-23-25-18(9-10-22-19(15)25)13-5-3-2-4-6-13/h2-12H,1H3,(H,24,26)
InChIKeyJHQSZAAWKSUIJT-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.31
Rot. Bonds4

About N-(2-chloro-4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-chloro-4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86860357) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86860357
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC NameN-(2-chloro-4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c(Cl)c1
InChIInChI=1S/C20H15ClN4O2/c1-27-14-7-8-17(16(21)11-14)24-20(26)15-12-23-25-18(9-10-22-19(15)25)13-5-3-2-4-6-13/h2-12H,1H3,(H,24,26)
InChIKeyJHQSZAAWKSUIJT-UHFFFAOYSA-N
XLogP4.31
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55972472
N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55664091
N-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55909145
N-[3-(2-methoxyethoxy)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55959199
N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163
N-cyclohexyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050171
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55972126
7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440483
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55853108
N-(2-hydroxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78897388
N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide
CID 71883734
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46074679

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86860357) is N-(2-chloro-4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JHQSZAAWKSUIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-27-14-7-8-17(16(21)11-14)24-20(26)15-12-23-25-18(9-10-22-19(15)25)13-5-3-2-4-6-13/h2-12H,1H3,(H,24,26).
What are the key properties of N-(2-chloro-4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-chloro-4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86860357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).