4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride

C18H25ClN4O — CID 120599506

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCNC(C)C3)cc2)n1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-12-11-16(8-9-19-12)20-18(23)15-4-6-17(7-5-15)22-14(3)10-13(2)21-22;/h4-7,10,12,16,19H,8-9,11H2,1-3H3,(H,20,23);1H
InChIKeyOOHPYXYKNHHQNB-UHFFFAOYSA-N
MW348.88 g/mol
LogP2.78
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride

4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120599506) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120599506
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCNC(C)C3)cc2)n1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-12-11-16(8-9-19-12)20-18(23)15-4-6-17(7-5-15)22-14(3)10-13(2)21-22;/h4-7,10,12,16,19H,8-9,11H2,1-3H3,(H,20,23);1H
InChIKeyOOHPYXYKNHHQNB-UHFFFAOYSA-N
XLogP2.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429001
N-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 86921667
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide
CID 112816364
N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 55349610
4-(3,5-dimethylpyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide
CID 86772119
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 120597820
N-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide
CID 120599207
4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995538
(2S)-2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]propanoic acid
CID 97337373
4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537934

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120599506) is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride is Cc1cc(C)n(-c2ccc(C(=O)NC3CCNC(C)C3)cc2)n1.Cl.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is OOHPYXYKNHHQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-12-11-16(8-9-19-12)20-18(23)15-4-6-17(7-5-15)22-14(3)10-13(2)21-22;/h4-7,10,12,16,19H,8-9,11H2,1-3H3,(H,20,23);1H.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120599506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).