N,N-diphenyl-1H-pyrazole-4-carboxamide

C16H13N3O — CID 91240587

IUPACN,N-diphenyl-1H-pyrazole-4-carboxamide
SMILESO=C(c1cn[nH]c1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13N3O/c20-16(13-11-17-18-12-13)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12H,(H,17,18)
InChIKeyNTUSSWUMCQVJQT-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.39
Rot. Bonds3

About N,N-diphenyl-1H-pyrazole-4-carboxamide

N,N-diphenyl-1H-pyrazole-4-carboxamide (PubChem CID 91240587) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is N,N-diphenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diphenyl-1H-pyrazole-4-carboxamide
PubChem CID91240587
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC NameN,N-diphenyl-1H-pyrazole-4-carboxamide
SMILESO=C(c1cn[nH]c1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13N3O/c20-16(13-11-17-18-12-13)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12H,(H,17,18)
InChIKeyNTUSSWUMCQVJQT-UHFFFAOYSA-N
XLogP3.39
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N,N-diphenyl-1H-pyrazole-4-carboxamide (CID 91240587) is N,N-diphenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,N-diphenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,N-diphenyl-1H-pyrazole-4-carboxamide is O=C(c1cn[nH]c1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diphenyl-1H-pyrazole-4-carboxamide?
The InChIKey is NTUSSWUMCQVJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16(13-11-17-18-12-13)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12H,(H,17,18).
What are the key properties of N,N-diphenyl-1H-pyrazole-4-carboxamide?
N,N-diphenyl-1H-pyrazole-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91240587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).