[2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

C17H21ClN4O — CID 120803215

IUPAC[2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1ccc(C(=O)N2CCNCC2c2cccc(Cl)c2)n1
InChIInChI=1S/C17H21ClN4O/c1-12(2)22-8-6-15(20-22)17(23)21-9-7-19-11-16(21)13-4-3-5-14(18)10-13/h3-6,8,10,12,16,19H,7,9,11H2,1-2H3
InChIKeyVLUKPPWLSMKTIH-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.90
Rot. Bonds3

About [2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

[2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 120803215) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is [2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
PubChem CID120803215
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name[2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1ccc(C(=O)N2CCNCC2c2cccc(Cl)c2)n1
InChIInChI=1S/C17H21ClN4O/c1-12(2)22-8-6-15(20-22)17(23)21-9-7-19-11-16(21)13-4-3-5-14(18)10-13/h3-6,8,10,12,16,19H,7,9,11H2,1-2H3
InChIKeyVLUKPPWLSMKTIH-UHFFFAOYSA-N
XLogP2.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chlorophenyl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 120802596
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965
[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
CID 120802029
[2-(3-chlorophenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120802183
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one
CID 120803481
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994
[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 120803370
[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 120802374
[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 120802294
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120803381
[2-(3-chlorophenyl)piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone
CID 120803031
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone (CID 120803215) is [2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone is CC(C)n1ccc(C(=O)N2CCNCC2c2cccc(Cl)c2)n1.
What is the InChIKey of [2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is VLUKPPWLSMKTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-12(2)22-8-6-15(20-22)17(23)21-9-7-19-11-16(21)13-4-3-5-14(18)10-13/h3-6,8,10,12,16,19H,7,9,11H2,1-2H3.
What are the key properties of [2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
[2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 332.84 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 120803215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).