(4-chloro-1-ethylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone

C12H19ClN4O — CID 23917753

IUPAC(4-chloro-1-ethylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2nn(CC)cc2Cl)CC1
InChIInChI=1S/C12H19ClN4O/c1-3-15-5-7-16(8-6-15)12(18)11-10(13)9-17(4-2)14-11/h9H,3-8H2,1-2H3
InChIKeyHDKBFNDXWXORNK-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.33
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone

(4-chloro-1-ethylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 23917753) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID23917753
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name(4-chloro-1-ethylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2nn(CC)cc2Cl)CC1
InChIInChI=1S/C12H19ClN4O/c1-3-15-5-7-16(8-6-15)12(18)11-10(13)9-17(4-2)14-11/h9H,3-8H2,1-2H3
InChIKeyHDKBFNDXWXORNK-UHFFFAOYSA-N
XLogP1.33
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chloro-1-ethylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone (CID 23917753) is (4-chloro-1-ethylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2nn(CC)cc2Cl)CC1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is HDKBFNDXWXORNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-3-15-5-7-16(8-6-15)12(18)11-10(13)9-17(4-2)14-11/h9H,3-8H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone?
(4-chloro-1-ethylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 270.76 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 23917753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).