N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C16H14N4O — CID 53087401

IUPACN-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C16H14N4O/c21-16(18-11-12-4-2-1-3-5-12)15-10-14(19-20-15)13-6-8-17-9-7-13/h1-10H,11H2,(H,18,21)(H,19,20)
InChIKeyNRRBVPHNILKGHW-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.40
Rot. Bonds4

About N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 53087401) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID53087401
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC NameN-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C16H14N4O/c21-16(18-11-12-4-2-1-3-5-12)15-10-14(19-20-15)13-6-8-17-9-7-13/h1-10H,11H2,(H,18,21)(H,19,20)
InChIKeyNRRBVPHNILKGHW-UHFFFAOYSA-N
XLogP2.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402
N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 123475335
N-benzyl-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352032
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752
N-[(4-carbamimidoylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 73052491
3-phenyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 57383723
3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165473
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 53087401) is N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is O=C(NCc1ccccc1)c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is NRRBVPHNILKGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16(18-11-12-4-2-1-3-5-12)15-10-14(19-20-15)13-6-8-17-9-7-13/h1-10H,11H2,(H,18,21)(H,19,20).
What are the key properties of N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 53087401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).