[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone

C24H26ClN4O+ — CID 9363213

IUPAC[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone
SMILESO=C(c1cc(C2CC2)nn1-c1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H25ClN4O/c25-20-10-6-18(7-11-20)17-27-12-14-28(15-13-27)24(30)23-16-22(19-8-9-19)26-29(23)21-4-2-1-3-5-21/h1-7,10-11,16,19H,8-9,12-15,17H2/p+1
InChIKeyRXZLFESEYCCPPE-UHFFFAOYSA-O
MW421.95 g/mol
LogP2.94
Rot. Bonds5

About [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone

[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone (PubChem CID 9363213) has the molecular formula C24H26ClN4O+ and a molecular weight of 421.95 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone
PubChem CID9363213
Molecular FormulaC24H26ClN4O+
Molecular Weight421.95 g/mol
Exact Mass421.18
IUPAC Name[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone
SMILESO=C(c1cc(C2CC2)nn1-c1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H25ClN4O/c25-20-10-6-18(7-11-20)17-27-12-14-28(15-13-27)24(30)23-16-22(19-8-9-19)26-29(23)21-4-2-1-3-5-21/h1-7,10-11,16,19H,8-9,12-15,17H2/p+1
InChIKeyRXZLFESEYCCPPE-UHFFFAOYSA-O
XLogP2.94
TPSA42.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-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-cyclopropyl-1-phenylpyrazol-5-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 8850204
(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 9437858
[4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46413204
N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
CID 34136216
4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one
CID 31096480
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51487785
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9327914
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 9464011
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone
CID 31482999
(4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone
CID 46120011
[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119561078
N'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 26768615

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone?
The IUPAC name of [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone (CID 9363213) is [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone.
What is the SMILES notation for [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone?
The canonical SMILES for [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone is O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone?
The InChIKey is RXZLFESEYCCPPE-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H25ClN4O/c25-20-10-6-18(7-11-20)17-27-12-14-28(15-13-27)24(30)23-16-22(19-8-9-19)26-29(23)21-4-2-1-3-5-21/h1-7,10-11,16,19H,8-9,12-15,17H2/p+1.
What are the key properties of [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone?
[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone has a molecular weight of 421.95 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone is sourced from PubChem (CID 9363213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).