1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide

C13H11N5O — CID 43429648

IUPAC1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H11N5O/c19-13(17-11-7-14-15-8-11)10-6-16-18(9-10)12-4-2-1-3-5-12/h1-9H,(H,14,15)(H,17,19)
InChIKeyNPVYBSYUQNKPLS-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.85
Rot. Bonds3

About 1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide

1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide (PubChem CID 43429648) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide
PubChem CID43429648
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H11N5O/c19-13(17-11-7-14-15-8-11)10-6-16-18(9-10)12-4-2-1-3-5-12/h1-9H,(H,14,15)(H,17,19)
InChIKeyNPVYBSYUQNKPLS-UHFFFAOYSA-N
XLogP1.85
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide (CID 43429648) is 1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide is O=C(Nc1cn[nH]c1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide?
The InChIKey is NPVYBSYUQNKPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c19-13(17-11-7-14-15-8-11)10-6-16-18(9-10)12-4-2-1-3-5-12/h1-9H,(H,14,15)(H,17,19).
What are the key properties of 1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide?
1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 43429648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).