1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

C17H16N4O — CID 27554728

IUPAC1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H16N4O/c22-17(19-10-15-7-4-8-18-9-15)16-11-20-21(13-16)12-14-5-2-1-3-6-14/h1-9,11,13H,10,12H2,(H,19,22)
InChIKeyCDMWNYRJCYJTFT-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.26
Rot. Bonds5

About 1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 27554728) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID27554728
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H16N4O/c22-17(19-10-15-7-4-8-18-9-15)16-11-20-21(13-16)12-14-5-2-1-3-6-14/h1-9,11,13H,10,12H2,(H,19,22)
InChIKeyCDMWNYRJCYJTFT-UHFFFAOYSA-N
XLogP2.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid
CID 43565330
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 24504538
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-benzylpyridine-3-carboxamide chloride
CID 21204170
1-benzyl-N-[[3-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 155945718
1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
1-benzyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 9185448
1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide
CID 111102491
1-benzyl-N-(2-benzylsulfanylethyl)pyrazole-4-carboxamide
CID 9470407
1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide
CID 111483220

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (CID 27554728) is 1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is O=C(NCc1cccnc1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is CDMWNYRJCYJTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-17(19-10-15-7-4-8-18-9-15)16-11-20-21(13-16)12-14-5-2-1-3-6-14/h1-9,11,13H,10,12H2,(H,19,22).
What are the key properties of 1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 27554728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).