3-phenyl-N-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

C15H14N4O — CID 3078485

IUPAC3-phenyl-N-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cccnc1)N1N=CCC1c1ccccc1
InChIInChI=1S/C15H14N4O/c20-15(18-13-7-4-9-16-11-13)19-14(8-10-17-19)12-5-2-1-3-6-12/h1-7,9-11,14H,8H2,(H,18,20)
InChIKeySVKSJWSEMLOAHT-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.05
Rot. Bonds2

About 3-phenyl-N-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

3-phenyl-N-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 3078485) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-phenyl-N-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
PubChem CID3078485
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-phenyl-N-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cccnc1)N1N=CCC1c1ccccc1
InChIInChI=1S/C15H14N4O/c20-15(18-13-7-4-9-16-11-13)19-14(8-10-17-19)12-5-2-1-3-6-12/h1-7,9-11,14H,8H2,(H,18,20)
InChIKeySVKSJWSEMLOAHT-UHFFFAOYSA-N
XLogP3.05
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3-phenyl-N-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (CID 3078485) is 3-phenyl-N-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3-phenyl-N-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3-phenyl-N-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1cccnc1)N1N=CCC1c1ccccc1.
What is the InChIKey of 3-phenyl-N-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is SVKSJWSEMLOAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-15(18-13-7-4-9-16-11-13)19-14(8-10-17-19)12-5-2-1-3-6-12/h1-7,9-11,14H,8H2,(H,18,20).
What are the key properties of 3-phenyl-N-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
3-phenyl-N-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 3078485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).