[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone

C14H15ClN4O — CID 119401108

IUPAC[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCNCC1
InChIInChI=1S/C14H15ClN4O/c15-11-4-2-1-3-10(11)12-9-13(18-17-12)14(20)19-7-5-16-6-8-19/h1-4,9,16H,5-8H2,(H,17,18)
InChIKeyGVBOIQFOPHZGLI-UHFFFAOYSA-N
MW290.75 g/mol
LogP1.78
Rot. Bonds2

About [3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone

[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone (PubChem CID 119401108) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone
PubChem CID119401108
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCNCC1
InChIInChI=1S/C14H15ClN4O/c15-11-4-2-1-3-10(11)12-9-13(18-17-12)14(20)19-7-5-16-6-8-19/h1-4,9,16H,5-8H2,(H,17,18)
InChIKeyGVBOIQFOPHZGLI-UHFFFAOYSA-N
XLogP1.78
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 78794978
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 46920414
(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403052
[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 119410376
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489210
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(1,4-diazepan-1-yl)methanone
CID 119414620
3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 119387033
1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356183
3-(2-chlorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 119442075
N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119480157
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 19514994
3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 167769135

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone?
The IUPAC name of [3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone (CID 119401108) is [3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone is O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCNCC1.
What is the InChIKey of [3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone?
The InChIKey is GVBOIQFOPHZGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c15-11-4-2-1-3-10(11)12-9-13(18-17-12)14(20)19-7-5-16-6-8-19/h1-4,9,16H,5-8H2,(H,17,18).
What are the key properties of [3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone?
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone has a molecular weight of 290.75 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 119401108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).