4-bromo-1,5-dimethyl-N-propan-2-ylpyrazole-3-carboxamide

C9H14BrN3O — CID 19578021

IUPAC4-bromo-1,5-dimethyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)NC(C)C)nn1C
InChIInChI=1S/C9H14BrN3O/c1-5(2)11-9(14)8-7(10)6(3)13(4)12-8/h5H,1-4H3,(H,11,14)
InChIKeyITSOCIOPIJFZRY-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.63
Rot. Bonds2

About 4-bromo-1,5-dimethyl-N-propan-2-ylpyrazole-3-carboxamide

4-bromo-1,5-dimethyl-N-propan-2-ylpyrazole-3-carboxamide (PubChem CID 19578021) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-bromo-1,5-dimethyl-N-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1,5-dimethyl-N-propan-2-ylpyrazole-3-carboxamide
PubChem CID19578021
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name4-bromo-1,5-dimethyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)NC(C)C)nn1C
InChIInChI=1S/C9H14BrN3O/c1-5(2)11-9(14)8-7(10)6(3)13(4)12-8/h5H,1-4H3,(H,11,14)
InChIKeyITSOCIOPIJFZRY-UHFFFAOYSA-N
XLogP1.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903308
4-bromo-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 843437
4-chloro-N-cyclopentyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 832003
WO2021250648, Example 11
CID 162396380
WO2021250648, Example 72
CID 162396437
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 1716418
N-Isobutyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 19279617
4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
CID 44823734
4-Bromo-1,3-dimethyl-N~5~-(1-methyl-2-morpholinoethyl)-1H-pyrazole-5-carboxamide
CID 4770997
4-Bromo-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
CID 11601224
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-butylacetamide
CID 1899616
2-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]octahydropyrrolo[1,2-a]pyrazine
CID 4155287

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,5-dimethyl-N-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1,5-dimethyl-N-propan-2-ylpyrazole-3-carboxamide (CID 19578021) is 4-bromo-1,5-dimethyl-N-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1,5-dimethyl-N-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1,5-dimethyl-N-propan-2-ylpyrazole-3-carboxamide is Cc1c(Br)c(C(=O)NC(C)C)nn1C.
What is the InChIKey of 4-bromo-1,5-dimethyl-N-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is ITSOCIOPIJFZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-5(2)11-9(14)8-7(10)6(3)13(4)12-8/h5H,1-4H3,(H,11,14).
What are the key properties of 4-bromo-1,5-dimethyl-N-propan-2-ylpyrazole-3-carboxamide?
4-bromo-1,5-dimethyl-N-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 260.13 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,5-dimethyl-N-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 19578021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).