4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C11H16BrN3O — CID 47426507

IUPAC4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)CNC(=O)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C11H16BrN3O/c1-6(2)5-13-11(16)10-8(12)9(14-15-10)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyXFJUGWYMTLNALK-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.44
Rot. Bonds4

About 4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide

4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 47426507) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID47426507
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)CNC(=O)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C11H16BrN3O/c1-6(2)5-13-11(16)10-8(12)9(14-15-10)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyXFJUGWYMTLNALK-UHFFFAOYSA-N
XLogP2.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 47426507) is 4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CC(C)CNC(=O)c1n[nH]c(C2CC2)c1Br.
What is the InChIKey of 4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is XFJUGWYMTLNALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-6(2)5-13-11(16)10-8(12)9(14-15-10)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47426507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).