(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-piperidin-1-ylmethanone

C20H20N4O — CID 880219

IUPAC(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCCCC1
InChIInChI=1S/C20H20N4O/c25-20(23-12-5-2-6-13-23)18-15-24(17-9-3-1-4-10-17)22-19(18)16-8-7-11-21-14-16/h1,3-4,7-11,14-15H,2,5-6,12-13H2
InChIKeyJJNKBNXPNFSQNK-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.56
Rot. Bonds3

About (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-piperidin-1-ylmethanone

(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-piperidin-1-ylmethanone (PubChem CID 880219) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-piperidin-1-ylmethanone
PubChem CID880219
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCCCC1
InChIInChI=1S/C20H20N4O/c25-20(23-12-5-2-6-13-23)18-15-24(17-9-3-1-4-10-17)22-19(18)16-8-7-11-21-14-16/h1,3-4,7-11,14-15H,2,5-6,12-13H2
InChIKeyJJNKBNXPNFSQNK-UHFFFAOYSA-N
XLogP3.56
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ibudilast
CID 3671
1-Phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 877232
1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carbaldehyde
CID 877236
FK-352
CID 6442241
FR-194921
CID 9821511
N-[4-(5-Ethyl-3-Pyridin-3-Yl-1h-Pyrazol-1-Yl)phenyl]pyridine-3-Carboxamide
CID 9820664
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
14-Amino-5-(1-methylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one
CID 16036535
N-ethyl-5-methyl-N-[2-[3-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389484
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
CID 57389725
N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72700543
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-(3-pyridinylmethylene)benzohydrazide
CID 6874623

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-piperidin-1-ylmethanone?
The IUPAC name of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-piperidin-1-ylmethanone (CID 880219) is (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-piperidin-1-ylmethanone is O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCCCC1.
What is the InChIKey of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-piperidin-1-ylmethanone?
The InChIKey is JJNKBNXPNFSQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(23-12-5-2-6-13-23)18-15-24(17-9-3-1-4-10-17)22-19(18)16-8-7-11-21-14-16/h1,3-4,7-11,14-15H,2,5-6,12-13H2.
What are the key properties of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-piperidin-1-ylmethanone?
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-piperidin-1-ylmethanone has a molecular weight of 332.41 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 880219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).