4-bromo-1-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide

C13H21BrN4O — CID 4772166

IUPAC4-bromo-1-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2c(Br)cnn2C)CC1
InChIInChI=1S/C13H21BrN4O/c1-9(2)18-6-4-10(5-7-18)16-13(19)12-11(14)8-15-17(12)3/h8-10H,4-7H2,1-3H3,(H,16,19)
InChIKeyDJRGOQQFLZRQKW-UHFFFAOYSA-N
MW329.24 g/mol
LogP1.79
Rot. Bonds3

About 4-bromo-1-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide

4-bromo-1-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide (PubChem CID 4772166) has the molecular formula C13H21BrN4O and a molecular weight of 329.24 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
PubChem CID4772166
Molecular FormulaC13H21BrN4O
Molecular Weight329.24 g/mol
Exact Mass328.09
IUPAC Name4-bromo-1-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2c(Br)cnn2C)CC1
InChIInChI=1S/C13H21BrN4O/c1-9(2)18-6-4-10(5-7-18)16-13(19)12-11(14)8-15-17(12)3/h8-10H,4-7H2,1-3H3,(H,16,19)
InChIKeyDJRGOQQFLZRQKW-UHFFFAOYSA-N
XLogP1.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-5-carboxamide
CID 750357
1-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]azepane
CID 903069
4-bromo-N-cycloheptyl-1-methylpyrazole-3-carboxamide
CID 903382
4-bromo-N-cyclooctyl-1-ethyl-1H-pyrazole-5-carboxamide
CID 831883
4-bromo-N-cyclooctyl-1-methyl-1H-pyrazole-5-carboxamide
CID 844722
4-bromo-N-cycloheptyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903183
4-bromo-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903308
1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane
CID 1219586
(4-Bromo-2-methylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 1219595
4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-3-carboxamide
CID 661401
4-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]morpholine
CID 1219641
N-cyclohexyl-4-iodo-1-methylpyrazole-3-carboxamide
CID 903180

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide (CID 4772166) is 4-bromo-1-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide is CC(C)N1CCC(NC(=O)c2c(Br)cnn2C)CC1.
What is the InChIKey of 4-bromo-1-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide?
The InChIKey is DJRGOQQFLZRQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O/c1-9(2)18-6-4-10(5-7-18)16-13(19)12-11(14)8-15-17(12)3/h8-10H,4-7H2,1-3H3,(H,16,19).
What are the key properties of 4-bromo-1-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide?
4-bromo-1-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide has a molecular weight of 329.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 4772166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).