[1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

C16H18ClN3O2 — CID 110901194

IUPAC[1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccn(-c2cccc(Cl)c2)n1)N1CCCC(CO)C1
InChIInChI=1S/C16H18ClN3O2/c17-13-4-1-5-14(9-13)20-8-6-15(18-20)16(22)19-7-2-3-12(10-19)11-21/h1,4-6,8-9,12,21H,2-3,7,10-11H2
InChIKeyOVWAOEPDEQUTPS-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.37
Rot. Bonds3

About [1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

[1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 110901194) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is [1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID110901194
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name[1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccn(-c2cccc(Cl)c2)n1)N1CCCC(CO)C1
InChIInChI=1S/C16H18ClN3O2/c17-13-4-1-5-14(9-13)20-8-6-15(18-20)16(22)19-7-2-3-12(10-19)11-21/h1,4-6,8-9,12,21H,2-3,7,10-11H2
InChIKeyOVWAOEPDEQUTPS-UHFFFAOYSA-N
XLogP2.37
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 124576615
(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 119173755
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 62371842
[3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone
CID 110911462
(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide
CID 95149478
[1-(3-bromophenyl)pyrazol-3-yl]-[(3S)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124687244
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110888423
(2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120451
[1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 55930139
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 120660118
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119518136
[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone
CID 119467359

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 110901194) is [1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccn(-c2cccc(Cl)c2)n1)N1CCCC(CO)C1.
What is the InChIKey of [1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is OVWAOEPDEQUTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-13-4-1-5-14(9-13)20-8-6-15(18-20)16(22)19-7-2-3-12(10-19)11-21/h1,4-6,8-9,12,21H,2-3,7,10-11H2.
What are the key properties of [1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
[1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 319.79 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110901194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).