(1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride

C17H23ClN4O — CID 120570179

IUPAC(1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1NCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1C.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-13-14(2)21(9-8-18-13)17(22)16-10-19-20(12-16)11-15-6-4-3-5-7-15;/h3-7,10,12-14,18H,8-9,11H2,1-2H3;1H
InChIKeySVTDKLCOKOMFAO-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.18
Rot. Bonds3

About (1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride

(1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120570179) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is (1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120570179
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name(1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1NCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1C.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-13-14(2)21(9-8-18-13)17(22)16-10-19-20(12-16)11-15-6-4-3-5-7-15;/h3-7,10,12-14,18H,8-9,11H2,1-2H3;1H
InChIKeySVTDKLCOKOMFAO-UHFFFAOYSA-N
XLogP2.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120574286
(1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649968
(1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763357
(1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698614
[1-(4-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572952
(2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 120571312
[1-(3-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572468
[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 46564681
[3-[(dimethylamino)methyl]phenyl]-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120571367
(4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572360
(2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]triazol-4-yl]methanone;hydrochloride
CID 120572401
(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120569818

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (CID 120570179) is (1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is CC1NCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1C.Cl.
What is the InChIKey of (1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is SVTDKLCOKOMFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-13-14(2)21(9-8-18-13)17(22)16-10-19-20(12-16)11-15-6-4-3-5-7-15;/h3-7,10,12-14,18H,8-9,11H2,1-2H3;1H.
What are the key properties of (1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
(1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120570179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).