[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone

C19H23ClN4O — CID 38418024

IUPAC[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
SMILESC[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1
InChIInChI=1S/C19H23ClN4O/c1-13(15-4-2-3-5-16(15)20)23-8-10-24(11-9-23)19(25)18-12-17(21-22-18)14-6-7-14/h2-5,12-14H,6-11H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyJWMBDJGBUINXEQ-CYBMUJFWSA-N
MW358.87 g/mol
LogP3.46
Rot. Bonds4

About [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone

[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone (PubChem CID 38418024) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
PubChem CID38418024
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
SMILESC[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1
InChIInChI=1S/C19H23ClN4O/c1-13(15-4-2-3-5-16(15)20)23-8-10-24(11-9-23)19(25)18-12-17(21-22-18)14-6-7-14/h2-5,12-14H,6-11H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyJWMBDJGBUINXEQ-CYBMUJFWSA-N
XLogP3.46
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-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

(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 167942351
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 43056764
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
CID 47023322
[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 95619699
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 56786100
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 46579668
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
CID 95209630
(1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119852070
(5-bromofuran-2-yl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 42949339
ethyl 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxylate
CID 19591205
(5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 20910898

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone (CID 38418024) is [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone is C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1.
What is the InChIKey of [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The InChIKey is JWMBDJGBUINXEQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-13(15-4-2-3-5-16(15)20)23-8-10-24(11-9-23)19(25)18-12-17(21-22-18)14-6-7-14/h2-5,12-14H,6-11H2,1H3,(H,21,22)/t13-/m1/s1.
What are the key properties of [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone has a molecular weight of 358.87 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 38418024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).