4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide

C19H20N4O — CID 51101514

IUPAC4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide
SMILESO=C(CCCc1ccccc1)Nc1ccn(Cc2ccccn2)n1
InChIInChI=1S/C19H20N4O/c24-19(11-6-9-16-7-2-1-3-8-16)21-18-12-14-23(22-18)15-17-10-4-5-13-20-17/h1-5,7-8,10,12-14H,6,9,11,15H2,(H,21,22,24)
InChIKeyWNJDWLGEFDAFAW-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.29
Rot. Bonds7

About 4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide

4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide (PubChem CID 51101514) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide
PubChem CID51101514
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide
SMILESO=C(CCCc1ccccc1)Nc1ccn(Cc2ccccn2)n1
InChIInChI=1S/C19H20N4O/c24-19(11-6-9-16-7-2-1-3-8-16)21-18-12-14-23(22-18)15-17-10-4-5-13-20-17/h1-5,7-8,10,12-14H,6,9,11,15H2,(H,21,22,24)
InChIKeyWNJDWLGEFDAFAW-UHFFFAOYSA-N
XLogP3.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 166181805
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide
CID 51101543
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649
(E)-3-(2,6-difluorophenyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]prop-2-enamide
CID 51101513
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide
CID 56561973
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19403070
2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 71881007
3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide
CID 51101562
N-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide
CID 126421675
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 52536233
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 71984854
(5S)-5-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95273803

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide?
The IUPAC name of 4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide (CID 51101514) is 4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide?
The canonical SMILES for 4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide is O=C(CCCc1ccccc1)Nc1ccn(Cc2ccccn2)n1.
What is the InChIKey of 4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide?
The InChIKey is WNJDWLGEFDAFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(11-6-9-16-7-2-1-3-8-16)21-18-12-14-23(22-18)15-17-10-4-5-13-20-17/h1-5,7-8,10,12-14H,6,9,11,15H2,(H,21,22,24).
What are the key properties of 4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide?
4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide has a molecular weight of 320.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide is sourced from PubChem (CID 51101514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).