(5-tert-butyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride

C18H24Cl2N4O — CID 120738206

IUPAC(5-tert-butyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCC(C)(C)c1cc(C(=O)N2CCNCC2c2ccccc2Cl)n[nH]1.Cl
InChIInChI=1S/C18H23ClN4O.ClH/c1-18(2,3)16-10-14(21-22-16)17(24)23-9-8-20-11-15(23)12-6-4-5-7-13(12)19;/h4-7,10,15,20H,8-9,11H2,1-3H3,(H,21,22);1H
InChIKeyWJKUKSYAIJRREU-UHFFFAOYSA-N
MW383.32 g/mol
LogP3.57
Rot. Bonds2

About (5-tert-butyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride

(5-tert-butyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120738206) has the molecular formula C18H24Cl2N4O and a molecular weight of 383.32 g/mol. Its IUPAC name is (5-tert-butyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(5-tert-butyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120738206
Molecular FormulaC18H24Cl2N4O
Molecular Weight383.32 g/mol
Exact Mass382.13
IUPAC Name(5-tert-butyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCC(C)(C)c1cc(C(=O)N2CCNCC2c2ccccc2Cl)n[nH]1.Cl
InChIInChI=1S/C18H23ClN4O.ClH/c1-18(2,3)16-10-14(21-22-16)17(24)23-9-8-20-11-15(23)12-6-4-5-7-13(12)19;/h4-7,10,15,20H,8-9,11H2,1-3H3,(H,21,22);1H
InChIKeyWJKUKSYAIJRREU-UHFFFAOYSA-N
XLogP3.57
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-tert-butyl-1H-pyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735632
(5-tert-butyl-1H-pyrazol-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119473002
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 120738738
[2-(2-chlorophenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone;hydrochloride
CID 120738665
[2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride
CID 120738567
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675
1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
CID 120739301
[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 120738818
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone
CID 120739700
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride
CID 120739287
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 120739788

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride (CID 120738206) is (5-tert-butyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (5-tert-butyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (5-tert-butyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride is CC(C)(C)c1cc(C(=O)N2CCNCC2c2ccccc2Cl)n[nH]1.Cl.
What is the InChIKey of (5-tert-butyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is WJKUKSYAIJRREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O.ClH/c1-18(2,3)16-10-14(21-22-16)17(24)23-9-8-20-11-15(23)12-6-4-5-7-13(12)19;/h4-7,10,15,20H,8-9,11H2,1-3H3,(H,21,22);1H.
What are the key properties of (5-tert-butyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride?
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 383.32 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120738206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).