2-anilino-5-oxo-N,7-diphenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H19N5O2 — CID 135765300

IUPAC2-anilino-5-oxo-N,7-diphenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1c(Nc2ccccc2)nn2c(-c3ccccc3)cc(=O)[nH]c12
InChIInChI=1S/C25H19N5O2/c31-21-16-20(17-10-4-1-5-11-17)30-24(28-21)22(25(32)27-19-14-8-3-9-15-19)23(29-30)26-18-12-6-2-7-13-18/h1-16H,(H,26,29)(H,27,32)(H,28,31)
InChIKeyLOHQAFVONXZEFA-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.69
Rot. Bonds5

About 2-anilino-5-oxo-N,7-diphenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-anilino-5-oxo-N,7-diphenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135765300) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 2-anilino-5-oxo-N,7-diphenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-anilino-5-oxo-N,7-diphenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135765300
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC Name2-anilino-5-oxo-N,7-diphenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1c(Nc2ccccc2)nn2c(-c3ccccc3)cc(=O)[nH]c12
InChIInChI=1S/C25H19N5O2/c31-21-16-20(17-10-4-1-5-11-17)30-24(28-21)22(25(32)27-19-14-8-3-9-15-19)23(29-30)26-18-12-6-2-7-13-18/h1-16H,(H,26,29)(H,27,32)(H,28,31)
InChIKeyLOHQAFVONXZEFA-UHFFFAOYSA-N
XLogP4.69
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-(4-nitrophenyl)-5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164517141
7-anilino-4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxamide
CID 139225026
2-anilino-N-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 57386855
7-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135814510
N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336197
2-oxo-N,4-diphenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidine-5-carboxamide
CID 102369656
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
5,7-diphenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1259348
2-ethyl-7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137004085
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
2-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 25146880
2-anilino-N-(4-methoxyphenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 16752019

Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-oxo-N,7-diphenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-anilino-5-oxo-N,7-diphenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135765300) is 2-anilino-5-oxo-N,7-diphenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-anilino-5-oxo-N,7-diphenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-anilino-5-oxo-N,7-diphenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccccc1)c1c(Nc2ccccc2)nn2c(-c3ccccc3)cc(=O)[nH]c12.
What is the InChIKey of 2-anilino-5-oxo-N,7-diphenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LOHQAFVONXZEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c31-21-16-20(17-10-4-1-5-11-17)30-24(28-21)22(25(32)27-19-14-8-3-9-15-19)23(29-30)26-18-12-6-2-7-13-18/h1-16H,(H,26,29)(H,27,32)(H,28,31).
What are the key properties of 2-anilino-5-oxo-N,7-diphenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-anilino-5-oxo-N,7-diphenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 4.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-oxo-N,7-diphenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135765300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).