1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride

C19H20Cl2N4O — CID 120803044

IUPAC1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride
SMILESCl.O=C(Cc1[nH]nc2ccccc12)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O.ClH/c20-14-5-3-4-13(10-14)18-12-21-8-9-24(18)19(25)11-17-15-6-1-2-7-16(15)22-23-17;/h1-7,10,18,21H,8-9,11-12H2,(H,22,23);1H
InChIKeyCJTQTXPOIOSPLJ-UHFFFAOYSA-N
MW391.30 g/mol
LogP3.35
Rot. Bonds3

About 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride

1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride (PubChem CID 120803044) has the molecular formula C19H20Cl2N4O and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride
PubChem CID120803044
Molecular FormulaC19H20Cl2N4O
Molecular Weight391.30 g/mol
Exact Mass390.10
IUPAC Name1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride
SMILESCl.O=C(Cc1[nH]nc2ccccc12)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O.ClH/c20-14-5-3-4-13(10-14)18-12-21-8-9-24(18)19(25)11-17-15-6-1-2-7-16(15)22-23-17;/h1-7,10,18,21H,8-9,11-12H2,(H,22,23);1H
InChIKeyCJTQTXPOIOSPLJ-UHFFFAOYSA-N
XLogP3.35
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120803593
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120802984
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-5-yl)propan-1-one
CID 120803387
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride
CID 120802601
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-nitrophenyl)ethanone
CID 120802848
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride
CID 120802347
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone
CID 120803535
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride
CID 120803142
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 120802977
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
CID 120802359

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride?
The IUPAC name of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride (CID 120803044) is 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride?
The canonical SMILES for 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride is Cl.O=C(Cc1[nH]nc2ccccc12)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride?
The InChIKey is CJTQTXPOIOSPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O.ClH/c20-14-5-3-4-13(10-14)18-12-21-8-9-24(18)19(25)11-17-15-6-1-2-7-16(15)22-23-17;/h1-7,10,18,21H,8-9,11-12H2,(H,22,23);1H.
What are the key properties of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride?
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride has a molecular weight of 391.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride is sourced from PubChem (CID 120803044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).