N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide

C16H15N3O — CID 2951131

IUPACN,3-diphenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1N=CCC1c1ccccc1
InChIInChI=1S/C16H15N3O/c20-16(18-14-9-5-2-6-10-14)19-15(11-12-17-19)13-7-3-1-4-8-13/h1-10,12,15H,11H2,(H,18,20)
InChIKeyOPPQJMOJMXRLBQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.65
Rot. Bonds2

About N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide

N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 2951131) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN,3-diphenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID2951131
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN,3-diphenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1N=CCC1c1ccccc1
InChIInChI=1S/C16H15N3O/c20-16(18-14-9-5-2-6-10-14)19-15(11-12-17-19)13-7-3-1-4-8-13/h1-10,12,15H,11H2,(H,18,20)
InChIKeyOPPQJMOJMXRLBQ-UHFFFAOYSA-N
XLogP3.65
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide (CID 2951131) is N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccccc1)N1N=CCC1c1ccccc1.
What is the InChIKey of N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is OPPQJMOJMXRLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-16(18-14-9-5-2-6-10-14)19-15(11-12-17-19)13-7-3-1-4-8-13/h1-10,12,15H,11H2,(H,18,20).
What are the key properties of N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide?
N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 2951131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).