(1-phenylpyrazol-4-yl)-piperidin-3-ylmethanone

C15H17N3O — CID 43140089

IUPAC(1-phenylpyrazol-4-yl)-piperidin-3-ylmethanone
SMILESO=C(c1cnn(-c2ccccc2)c1)C1CCCNC1
InChIInChI=1S/C15H17N3O/c19-15(12-5-4-8-16-9-12)13-10-17-18(11-13)14-6-2-1-3-7-14/h1-3,6-7,10-12,16H,4-5,8-9H2
InChIKeyZPDYWTGIMBGKTI-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.05
Rot. Bonds3

About (1-phenylpyrazol-4-yl)-piperidin-3-ylmethanone

(1-phenylpyrazol-4-yl)-piperidin-3-ylmethanone (PubChem CID 43140089) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (1-phenylpyrazol-4-yl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(1-phenylpyrazol-4-yl)-piperidin-3-ylmethanone
PubChem CID43140089
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(1-phenylpyrazol-4-yl)-piperidin-3-ylmethanone
SMILESO=C(c1cnn(-c2ccccc2)c1)C1CCCNC1
InChIInChI=1S/C15H17N3O/c19-15(12-5-4-8-16-9-12)13-10-17-18(11-13)14-6-2-1-3-7-14/h1-3,6-7,10-12,16H,4-5,8-9H2
InChIKeyZPDYWTGIMBGKTI-UHFFFAOYSA-N
XLogP2.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-phenylpyrazol-4-yl)-piperidin-3-ylmethanone 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-phenyl-N-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide
CID 28742838
1,4-diazepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 28742263
2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide
CID 119424441
N-methyl-1-phenyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 43602271
piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride
CID 73012650
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
2-cyclohexyl-1-(1-phenylpyrazol-4-yl)ethanone
CID 43340159
phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261
furan-3-yl(piperidin-3-yl)methanone
CID 116548121
tert-butyl 3-(1-phenylpyrazole-4-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171948722
(1-phenylpyrazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65154774
N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120577775

Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrazol-4-yl)-piperidin-3-ylmethanone?
The IUPAC name of (1-phenylpyrazol-4-yl)-piperidin-3-ylmethanone (CID 43140089) is (1-phenylpyrazol-4-yl)-piperidin-3-ylmethanone.
What is the SMILES notation for (1-phenylpyrazol-4-yl)-piperidin-3-ylmethanone?
The canonical SMILES for (1-phenylpyrazol-4-yl)-piperidin-3-ylmethanone is O=C(c1cnn(-c2ccccc2)c1)C1CCCNC1.
What is the InChIKey of (1-phenylpyrazol-4-yl)-piperidin-3-ylmethanone?
The InChIKey is ZPDYWTGIMBGKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15(12-5-4-8-16-9-12)13-10-17-18(11-13)14-6-2-1-3-7-14/h1-3,6-7,10-12,16H,4-5,8-9H2.
What are the key properties of (1-phenylpyrazol-4-yl)-piperidin-3-ylmethanone?
(1-phenylpyrazol-4-yl)-piperidin-3-ylmethanone has a molecular weight of 255.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrazol-4-yl)-piperidin-3-ylmethanone is sourced from PubChem (CID 43140089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).