4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide

C20H20N4O — CID 119047349

IUPAC4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2ccccn2)c1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C20H20N4O/c25-20(17-9-7-16(8-10-17)15-4-3-5-15)23-19-12-22-24(14-19)13-18-6-1-2-11-21-18/h1-2,6-12,14-15H,3-5,13H2,(H,23,25)
InChIKeyVBGHNNFJLBTXSO-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.85
Rot. Bonds5

About 4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide

4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide (PubChem CID 119047349) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
PubChem CID119047349
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2ccccn2)c1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C20H20N4O/c25-20(17-9-7-16(8-10-17)15-4-3-5-15)23-19-12-22-24(14-19)13-18-6-1-2-11-21-18/h1-2,6-12,14-15H,3-5,13H2,(H,23,25)
InChIKeyVBGHNNFJLBTXSO-UHFFFAOYSA-N
XLogP3.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 86813351
3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
CID 51104194
2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide
CID 136534909
4-(oxolan-2-ylmethoxy)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 126795589
(2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide
CID 99816503
4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 167833760
1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]urea
CID 99849044
4-cyclopentyl-N-pyridin-4-ylbenzamide
CID 110464379
N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide
CID 60526938
N-(4-cyclohexylphenyl)benzamide
CID 10333838
4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
CID 95749420
2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide
CID 75372346

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide (CID 119047349) is 4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide is O=C(Nc1cnn(Cc2ccccn2)c1)c1ccc(C2CCC2)cc1.
What is the InChIKey of 4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide?
The InChIKey is VBGHNNFJLBTXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(17-9-7-16(8-10-17)15-4-3-5-15)23-19-12-22-24(14-19)13-18-6-1-2-11-21-18/h1-2,6-12,14-15H,3-5,13H2,(H,23,25).
What are the key properties of 4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide?
4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide has a molecular weight of 332.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 119047349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).