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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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).