(2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C15H16ClN3O — CID 123681411

IUPAC(2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C15H16ClN3O/c16-12-6-2-1-5-11(12)15(20)19-10-4-3-7-14(19)13-8-9-17-18-13/h1-2,5-6,8-9,14H,3-4,7,10H2,(H,17,18)
InChIKeyZXQVMRKLFXWWFY-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.43
Rot. Bonds2

About (2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

(2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 123681411) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is (2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID123681411
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name(2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C15H16ClN3O/c16-12-6-2-1-5-11(12)15(20)19-10-4-3-7-14(19)13-8-9-17-18-13/h1-2,5-6,8-9,14H,3-4,7,10H2,(H,17,18)
InChIKeyZXQVMRKLFXWWFY-UHFFFAOYSA-N
XLogP3.43
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 118741468
[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124641151
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125002293
(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124944774
(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270861
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 110106183
tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 75817647
2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 124992115
N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide
CID 124985015
[(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95821620
(3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129398214
[2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63394055

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 123681411) is (2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCCCC1c1ccn[nH]1.
What is the InChIKey of (2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is ZXQVMRKLFXWWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-12-6-2-1-5-11(12)15(20)19-10-4-3-7-14(19)13-8-9-17-18-13/h1-2,5-6,8-9,14H,3-4,7,10H2,(H,17,18).
What are the key properties of (2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 289.77 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 123681411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).