4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride

C16H20BrClN4O — CID 120557037

IUPAC4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1[nH]nc(-c2ccccc2)c1Br.Cl
InChIInChI=1S/C16H19BrN4O.ClH/c1-10-9-18-8-7-12(10)19-16(22)15-13(17)14(20-21-15)11-5-3-2-4-6-11;/h2-6,10,12,18H,7-9H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyKXXQFQIRBDJFFP-UHFFFAOYSA-N
MW399.72 g/mol
LogP2.99
Rot. Bonds3

About 4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride

4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 120557037) has the molecular formula C16H20BrClN4O and a molecular weight of 399.72 g/mol. Its IUPAC name is 4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID120557037
Molecular FormulaC16H20BrClN4O
Molecular Weight399.72 g/mol
Exact Mass398.05
IUPAC Name4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1[nH]nc(-c2ccccc2)c1Br.Cl
InChIInChI=1S/C16H19BrN4O.ClH/c1-10-9-18-8-7-12(10)19-16(22)15-13(17)14(20-21-15)11-5-3-2-4-6-11;/h2-6,10,12,18H,7-9H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyKXXQFQIRBDJFFP-UHFFFAOYSA-N
XLogP2.99
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.72
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119612480
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CID 120557670
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
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CID 120553778
N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride
CID 120556844
4-bromo-N-[(2R)-2-(ethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 120650090
N-(3-methylpiperidin-4-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 120553539
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120558047
3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 120555492
N-(4-methylpiperidin-3-yl)benzamide
CID 63326220
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride (CID 120557037) is 4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride is CC1CNCCC1NC(=O)c1[nH]nc(-c2ccccc2)c1Br.Cl.
What is the InChIKey of 4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is KXXQFQIRBDJFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O.ClH/c1-10-9-18-8-7-12(10)19-16(22)15-13(17)14(20-21-15)11-5-3-2-4-6-11;/h2-6,10,12,18H,7-9H2,1H3,(H,19,22)(H,20,21);1H.
What are the key properties of 4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride?
4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 399.72 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120557037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).