N-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide

C16H14N4O — CID 118526786

IUPACN-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide
SMILESO=C(NCc1cccc(-c2ccncc2)c1)n1cccn1
InChIInChI=1S/C16H14N4O/c21-16(20-10-2-7-19-20)18-12-13-3-1-4-15(11-13)14-5-8-17-9-6-14/h1-11H,12H2,(H,18,21)
InChIKeyVIPXQOQOBWELDJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.70
Rot. Bonds3

About N-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide

N-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide (PubChem CID 118526786) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide
PubChem CID118526786
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide
SMILESO=C(NCc1cccc(-c2ccncc2)c1)n1cccn1
InChIInChI=1S/C16H14N4O/c21-16(20-10-2-7-19-20)18-12-13-3-1-4-15(11-13)14-5-8-17-9-6-14/h1-11H,12H2,(H,18,21)
InChIKeyVIPXQOQOBWELDJ-UHFFFAOYSA-N
XLogP2.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide
CID 110460835
N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72848910
1-cyclohexyl-N-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 166383933
3-methyl-1-[(3-pyridin-3-ylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122010194
N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide
CID 123422465
N-(2-aminoethyl)pyrazole-1-carboxamide
CID 141081184
(2S)-2-(methylamino)-3-(3-pyridin-4-ylphenyl)propanoic acid
CID 162376820
N-[(3-cyclobutylphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide
CID 129159339
N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide
CID 144513421
1-hydroxy-4-[(3-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one
CID 67251968
(3-pyridin-4-ylphenyl)methanamine;dihydrochloride
CID 23086760
3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121018137

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide?
The IUPAC name of N-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide (CID 118526786) is N-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide?
The canonical SMILES for N-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide is O=C(NCc1cccc(-c2ccncc2)c1)n1cccn1.
What is the InChIKey of N-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide?
The InChIKey is VIPXQOQOBWELDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16(20-10-2-7-19-20)18-12-13-3-1-4-15(11-13)14-5-8-17-9-6-14/h1-11H,12H2,(H,18,21).
What are the key properties of N-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide?
N-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 118526786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).