(4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone

C15H17ClN4O — CID 119375417

IUPAC(4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone
SMILESNC1CCN(C(=O)c2cn[nH]c2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H17ClN4O/c16-11-3-1-2-10(8-11)14-13(9-18-19-14)15(21)20-6-4-12(17)5-7-20/h1-3,8-9,12H,4-7,17H2,(H,18,19)
InChIKeyDDUYZGVZYKMPPL-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.29
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone

(4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone (PubChem CID 119375417) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone
PubChem CID119375417
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name(4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone
SMILESNC1CCN(C(=O)c2cn[nH]c2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H17ClN4O/c16-11-3-1-2-10(8-11)14-13(9-18-19-14)15(21)20-6-4-12(17)5-7-20/h1-3,8-9,12H,4-7,17H2,(H,18,19)
InChIKeyDDUYZGVZYKMPPL-UHFFFAOYSA-N
XLogP2.29
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone 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

(4-aminopiperidin-1-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 139023916
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 119376653
1-[5-(3-chlorophenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119592
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 16596749
(4-aminopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 119375415
[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 111824456
[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone
CID 138999900
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70780162
(2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone
CID 55869721
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone
CID 17424319
[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 56872933
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 79030002

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone (CID 119375417) is (4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone is NC1CCN(C(=O)c2cn[nH]c2-c2cccc(Cl)c2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is DDUYZGVZYKMPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-11-3-1-2-10(8-11)14-13(9-18-19-14)15(21)20-6-4-12(17)5-7-20/h1-3,8-9,12H,4-7,17H2,(H,18,19).
What are the key properties of (4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone?
(4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 304.78 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 119375417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).