2-anilino-N-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H16ClN5O — CID 57386855

IUPAC2-anilino-N-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccnc2c(C(=O)Nc3ccc(Cl)cc3)c(Nc3ccccc3)nn12
InChIInChI=1S/C20H16ClN5O/c1-13-11-12-22-19-17(20(27)24-16-9-7-14(21)8-10-16)18(25-26(13)19)23-15-5-3-2-4-6-15/h2-12H,1H3,(H,23,25)(H,24,27)
InChIKeyPZPKLVJJORFJRC-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.69
Rot. Bonds4

About 2-anilino-N-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

2-anilino-N-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 57386855) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 2-anilino-N-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID57386855
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name2-anilino-N-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccnc2c(C(=O)Nc3ccc(Cl)cc3)c(Nc3ccccc3)nn12
InChIInChI=1S/C20H16ClN5O/c1-13-11-12-22-19-17(20(27)24-16-9-7-14(21)8-10-16)18(25-26(13)19)23-15-5-3-2-4-6-15/h2-12H,1H3,(H,23,25)(H,24,27)
InChIKeyPZPKLVJJORFJRC-UHFFFAOYSA-N
XLogP4.69
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2516944
5-amino-2-anilino-6-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164576092
2-anilino-N-(4-methoxyphenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 16752019
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632392
2-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 25146880
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739
5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide
CID 2766863
N-(4-chlorophenyl)pyrimidine-2-carboxamide
CID 56724074
N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167597
7-methyl-N-(4-phenyldiazenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8886551

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-anilino-N-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 57386855) is 2-anilino-N-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-anilino-N-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-anilino-N-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccnc2c(C(=O)Nc3ccc(Cl)cc3)c(Nc3ccccc3)nn12.
What is the InChIKey of 2-anilino-N-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PZPKLVJJORFJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-13-11-12-22-19-17(20(27)24-16-9-7-14(21)8-10-16)18(25-26(13)19)23-15-5-3-2-4-6-15/h2-12H,1H3,(H,23,25)(H,24,27).
What are the key properties of 2-anilino-N-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-anilino-N-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 377.84 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 57386855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).