(2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride

C17H23ClN4O2 — CID 120733241

IUPAC(2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cc(C)nn1C.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-12-10-14(20(2)19-12)17(22)21-9-8-18-11-15(21)13-6-4-5-7-16(13)23-3;/h4-7,10,15,18H,8-9,11H2,1-3H3;1H
InChIKeyALPNMIJDAASAAK-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.95
Rot. Bonds3

About (2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride

(2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120733241) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120733241
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cc(C)nn1C.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-12-10-14(20(2)19-12)17(22)21-9-8-18-11-15(21)13-6-4-5-7-16(13)23-3;/h4-7,10,15,18H,8-9,11H2,1-3H3;1H
InChIKeyALPNMIJDAASAAK-UHFFFAOYSA-N
XLogP1.95
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120734744
(1,3-dimethyl-4-nitropyrazol-5-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734599
[2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 120733114
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
(2,5-dimethylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736000
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
CID 120732866
(1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 124958818
(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734041
(2,4-dimethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733692
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780
(5-bromothiophen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734960

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride (CID 120733241) is (2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride is COc1ccccc1C1CNCCN1C(=O)c1cc(C)nn1C.Cl.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is ALPNMIJDAASAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-12-10-14(20(2)19-12)17(22)21-9-8-18-11-15(21)13-6-4-5-7-16(13)23-3;/h4-7,10,15,18H,8-9,11H2,1-3H3;1H.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
(2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120733241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).