4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride

C17H24ClN5O — CID 108813826

IUPAC4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride
SMILESCc1cccc(N2CCN(C(=O)Nc3ccnn3C)CC2)c1C.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-13-5-4-6-15(14(13)2)21-9-11-22(12-10-21)17(23)19-16-7-8-18-20(16)3;/h4-8H,9-12H2,1-3H3,(H,19,23);1H
InChIKeyDMAJQGBKFWJTJV-UHFFFAOYSA-N
MW349.87 g/mol
LogP2.81
Rot. Bonds2

About 4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride

4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride (PubChem CID 108813826) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride
PubChem CID108813826
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride
SMILESCc1cccc(N2CCN(C(=O)Nc3ccnn3C)CC2)c1C.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-13-5-4-6-15(14(13)2)21-9-11-22(12-10-21)17(23)19-16-7-8-18-20(16)3;/h4-8H,9-12H2,1-3H3,(H,19,23);1H
InChIKeyDMAJQGBKFWJTJV-UHFFFAOYSA-N
XLogP2.81
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide
CID 154737898
4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 108812009
4-(2,3-dimethylphenyl)-N-thiophen-2-ylpiperazine-1-carboxamide;hydrochloride
CID 108889235
4-(2,3-dimethylphenyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108886876
[4-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]phenyl] ethyl carbonate;hydrochloride
CID 108865707
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108868301
4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride
CID 108913341
N-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 127624784
1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea
CID 108813668
N'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide
CID 51113389
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride (CID 108813826) is 4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride is Cc1cccc(N2CCN(C(=O)Nc3ccnn3C)CC2)c1C.Cl.
What is the InChIKey of 4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is DMAJQGBKFWJTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.ClH/c1-13-5-4-6-15(14(13)2)21-9-11-22(12-10-21)17(23)19-16-7-8-18-20(16)3;/h4-8H,9-12H2,1-3H3,(H,19,23);1H.
What are the key properties of 4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride?
4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 349.87 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 108813826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).