5-bromo-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide

C9H12BrN3O — CID 165363159

IUPAC5-bromo-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(Br)[nH]n1)C1CC1
InChIInChI=1S/C9H12BrN3O/c1-5(6-2-3-6)11-9(14)7-4-8(10)13-12-7/h4-6H,2-3H2,1H3,(H,11,14)(H,12,13)
InChIKeyBRCQANAVZZZPHV-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.70
Rot. Bonds3

About 5-bromo-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide

5-bromo-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 165363159) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide
PubChem CID165363159
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name5-bromo-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(Br)[nH]n1)C1CC1
InChIInChI=1S/C9H12BrN3O/c1-5(6-2-3-6)11-9(14)7-4-8(10)13-12-7/h4-6H,2-3H2,1H3,(H,11,14)(H,12,13)
InChIKeyBRCQANAVZZZPHV-UHFFFAOYSA-N
XLogP1.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide (CID 165363159) is 5-bromo-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide is CC(NC(=O)c1cc(Br)[nH]n1)C1CC1.
What is the InChIKey of 5-bromo-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is BRCQANAVZZZPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-5(6-2-3-6)11-9(14)7-4-8(10)13-12-7/h4-6H,2-3H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 5-bromo-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide?
5-bromo-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 258.12 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 165363159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).