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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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).