4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride

C17H23ClN4O — CID 119429001

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCCNC3)cc2)n1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12-10-13(2)21(20-12)16-7-5-14(6-8-16)17(22)19-15-4-3-9-18-11-15;/h5-8,10,15,18H,3-4,9,11H2,1-2H3,(H,19,22);1H
InChIKeyRPLOBKYNFGBUPG-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.39
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride

4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 119429001) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
PubChem CID119429001
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCCNC3)cc2)n1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12-10-13(2)21(20-12)16-7-5-14(6-8-16)17(22)19-15-4-3-9-18-11-15;/h5-8,10,15,18H,3-4,9,11H2,1-2H3,(H,19,22);1H
InChIKeyRPLOBKYNFGBUPG-UHFFFAOYSA-N
XLogP2.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120599506
4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537934
N-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 86921667
4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide
CID 112816364
4-(3,5-dimethylpyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide
CID 86772119
N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 55349610
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
N-piperidin-3-yl-4-pyrrol-1-ylbenzamide
CID 127187403
4-(acetamidomethyl)-N-piperidin-3-ylbenzamide
CID 119425557
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
N-piperidin-3-ylbenzamide
CID 22017045

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride (CID 119429001) is 4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride is Cc1cc(C)n(-c2ccc(C(=O)NC3CCCNC3)cc2)n1.Cl.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is RPLOBKYNFGBUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-12-10-13(2)21(20-12)16-7-5-14(6-8-16)17(22)19-15-4-3-9-18-11-15;/h5-8,10,15,18H,3-4,9,11H2,1-2H3,(H,19,22);1H.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride?
4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.39, 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-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119429001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).