[3-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone

C18H21ClN4O — CID 166254428

IUPAC[3-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone
SMILESCn1nc2c(c1C(=O)N1CCNC(c3cccc(Cl)c3)C1)CCC2
InChIInChI=1S/C18H21ClN4O/c1-22-17(14-6-3-7-15(14)21-22)18(24)23-9-8-20-16(11-23)12-4-2-5-13(19)10-12/h2,4-5,10,16,20H,3,6-9,11H2,1H3
InChIKeyMDZQZJFUGYLGNG-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.35
Rot. Bonds2

About [3-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone

[3-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone (PubChem CID 166254428) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is [3-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone
PubChem CID166254428
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name[3-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone
SMILESCn1nc2c(c1C(=O)N1CCNC(c3cccc(Cl)c3)C1)CCC2
InChIInChI=1S/C18H21ClN4O/c1-22-17(14-6-3-7-15(14)21-22)18(24)23-9-8-20-16(11-23)12-4-2-5-13(19)10-12/h2,4-5,10,16,20H,3,6-9,11H2,1H3
InChIKeyMDZQZJFUGYLGNG-UHFFFAOYSA-N
XLogP2.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-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

Related Compounds

[3-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrol-1-yl-2-pyridinyl)methanone
CID 126818293
[(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 18664719
phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
5-(3-chlorophenyl)-1-methyl-1,4-diazepane
CID 82287491
7-[3-(3-chlorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429799
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 118783319
methyl 4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carbonyl)piperazin-2-yl]benzoate
CID 166315873
(4R,5S)-4-(3-methoxyphenyl)-2-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,6-diazaspiro[4.6]undecan-7-one
CID 92566013
(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone
CID 72886763
(2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone
CID 74232531
6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one
CID 170511586
4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 129352590

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone?
The IUPAC name of [3-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone (CID 166254428) is [3-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone.
What is the SMILES notation for [3-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone?
The canonical SMILES for [3-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone is Cn1nc2c(c1C(=O)N1CCNC(c3cccc(Cl)c3)C1)CCC2.
What is the InChIKey of [3-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone?
The InChIKey is MDZQZJFUGYLGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-22-17(14-6-3-7-15(14)21-22)18(24)23-9-8-20-16(11-23)12-4-2-5-13(19)10-12/h2,4-5,10,16,20H,3,6-9,11H2,1H3.
What are the key properties of [3-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone?
[3-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone has a molecular weight of 344.85 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone is sourced from PubChem (CID 166254428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).