5-bromo-N-ethyl-N,1-dimethylpyrazole-4-carboxamide

C8H12BrN3O — CID 130634758

IUPAC5-bromo-N-ethyl-N,1-dimethylpyrazole-4-carboxamide
SMILESCCN(C)C(=O)c1cnn(C)c1Br
InChIInChI=1S/C8H12BrN3O/c1-4-11(2)8(13)6-5-10-12(3)7(6)9/h5H,4H2,1-3H3
InChIKeyPZSQNGSUGHETQU-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.27
Rot. Bonds2

About 5-bromo-N-ethyl-N,1-dimethylpyrazole-4-carboxamide

5-bromo-N-ethyl-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 130634758) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N,1-dimethylpyrazole-4-carboxamide
PubChem CID130634758
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name5-bromo-N-ethyl-N,1-dimethylpyrazole-4-carboxamide
SMILESCCN(C)C(=O)c1cnn(C)c1Br
InChIInChI=1S/C8H12BrN3O/c1-4-11(2)8(13)6-5-10-12(3)7(6)9/h5H,4H2,1-3H3
InChIKeyPZSQNGSUGHETQU-UHFFFAOYSA-N
XLogP1.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 115048925
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
5-bromo-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 130626828
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1,3-trimethylpyrazole-4-carboxamide
CID 19477885
5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 104928029
3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea
CID 79524208
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 62333069
N-(5-bromopentyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 107206006
1-(5-bromo-1-methylpyrazol-4-yl)-2-cyclobutylethanone
CID 130877669
5-bromo-N-(1-bromo-2-methylpropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 130702723
5-bromo-N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 131020849

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-N,1-dimethylpyrazole-4-carboxamide (CID 130634758) is 5-bromo-N-ethyl-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-N,1-dimethylpyrazole-4-carboxamide is CCN(C)C(=O)c1cnn(C)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is PZSQNGSUGHETQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-4-11(2)8(13)6-5-10-12(3)7(6)9/h5H,4H2,1-3H3.
What are the key properties of 5-bromo-N-ethyl-N,1-dimethylpyrazole-4-carboxamide?
5-bromo-N-ethyl-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 246.11 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 130634758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).