4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide

C8H12BrN3O — CID 19475064

IUPAC4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1c(Br)cnn1C
InChIInChI=1S/C8H12BrN3O/c1-5(2)11-8(13)7-6(9)4-10-12(7)3/h4-5H,1-3H3,(H,11,13)
InChIKeyGEZDSDDVNBLNMJ-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.32
Rot. Bonds2

About 4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide

4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide (PubChem CID 19475064) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
PubChem CID19475064
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1c(Br)cnn1C
InChIInChI=1S/C8H12BrN3O/c1-5(2)11-8(13)7-6(9)4-10-12(7)3/h4-5H,1-3H3,(H,11,13)
InChIKeyGEZDSDDVNBLNMJ-UHFFFAOYSA-N
XLogP1.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2-(methylamino)propan-1-one
CID 114668964
4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 19475122
1-(4-bromo-1-methylpyrazol-5-yl)-3-methylbutan-1-one
CID 114639107
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethanone
CID 114641403
1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one
CID 114639523
1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one
CID 105135356
4-bromo-1-methyl-N-[(3R)-2-oxothiolan-3-yl]pyrazole-5-carboxamide
CID 752986
4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide
CID 19576393
2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one
CID 114668356
1-(4-bromo-1-methylpyrazol-5-yl)-3,4,4-trimethylpentan-1-one
CID 115814932
4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19475234
4-bromo-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-5-carboxamide
CID 19475068

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide (CID 19475064) is 4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide is CC(C)NC(=O)c1c(Br)cnn1C.
What is the InChIKey of 4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is GEZDSDDVNBLNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-5(2)11-8(13)7-6(9)4-10-12(7)3/h4-5H,1-3H3,(H,11,13).
What are the key properties of 4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 246.11 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 19475064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).