1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide

C17H21BrN4O — CID 119461896

IUPAC1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CCCNC2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN4O/c1-12-16(17(23)20-10-13-3-2-8-19-9-13)11-21-22(12)15-6-4-14(18)5-7-15/h4-7,11,13,19H,2-3,8-10H2,1H3,(H,20,23)
InChIKeyZYYGFRRUDYDYPC-UHFFFAOYSA-N
MW377.29 g/mol
LogP2.67
Rot. Bonds4

About 1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide

1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 119461896) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID119461896
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC Name1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CCCNC2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN4O/c1-12-16(17(23)20-10-13-3-2-8-19-9-13)11-21-22(12)15-6-4-14(18)5-7-15/h4-7,11,13,19H,2-3,8-10H2,1H3,(H,20,23)
InChIKeyZYYGFRRUDYDYPC-UHFFFAOYSA-N
XLogP2.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461195
1-(4-bromophenyl)-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119426369
5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461346
1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119451537
1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 46642626
5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119463223
1-(3-bromophenyl)-5-methyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide
CID 119535088
1-(4-bromophenyl)-N-cycloheptyl-5-methylpyrazole-4-carboxamide
CID 31942281
1-(4-bromophenyl)-5-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 32693366
7-bromo-2-methyl-N-(piperidin-3-ylmethyl)quinoline-4-carboxamide
CID 119462915
1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 52510251
1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
CID 120830367

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide (CID 119461896) is 1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCC2CCCNC2)cnn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is ZYYGFRRUDYDYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-12-16(17(23)20-10-13-3-2-8-19-9-13)11-21-22(12)15-6-4-14(18)5-7-15/h4-7,11,13,19H,2-3,8-10H2,1H3,(H,20,23).
What are the key properties of 1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide?
1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 377.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119461896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).