[1-(2-chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone

C16H19ClN4O — CID 49267773

IUPAC[1-(2-chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1
InChIInChI=1S/C16H19ClN4O/c1-2-19-7-9-20(10-8-19)16(22)13-11-18-21(12-13)15-6-4-3-5-14(15)17/h3-6,11-12H,2,7-10H2,1H3
InChIKeyQETDAWLMDCTJSR-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.30
Rot. Bonds3

About [1-(2-chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone

[1-(2-chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 49267773) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is [1-(2-chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID49267773
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name[1-(2-chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1
InChIInChI=1S/C16H19ClN4O/c1-2-19-7-9-20(10-8-19)16(22)13-11-18-21(12-13)15-6-4-3-5-14(15)17/h3-6,11-12H,2,7-10H2,1H3
InChIKeyQETDAWLMDCTJSR-UHFFFAOYSA-N
XLogP2.30
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [1-(2-chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone (CID 49267773) is [1-(2-chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(2-chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(2-chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1.
What is the InChIKey of [1-(2-chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is QETDAWLMDCTJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-2-19-7-9-20(10-8-19)16(22)13-11-18-21(12-13)15-6-4-3-5-14(15)17/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of [1-(2-chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone?
[1-(2-chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 318.81 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 49267773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).