5-bromo-N-propyl-1H-pyrazole-3-carboxamide

C7H10BrN3O — CID 130709205

IUPAC5-bromo-N-propyl-1H-pyrazole-3-carboxamide
SMILESCCCNC(=O)c1cc(Br)[nH]n1
InChIInChI=1S/C7H10BrN3O/c1-2-3-9-7(12)5-4-6(8)11-10-5/h4H,2-3H2,1H3,(H,9,12)(H,10,11)
InChIKeyYUNCUKASBCPOOA-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.31
Rot. Bonds3

About 5-bromo-N-propyl-1H-pyrazole-3-carboxamide

5-bromo-N-propyl-1H-pyrazole-3-carboxamide (PubChem CID 130709205) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 5-bromo-N-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-propyl-1H-pyrazole-3-carboxamide
PubChem CID130709205
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name5-bromo-N-propyl-1H-pyrazole-3-carboxamide
SMILESCCCNC(=O)c1cc(Br)[nH]n1
InChIInChI=1S/C7H10BrN3O/c1-2-3-9-7(12)5-4-6(8)11-10-5/h4H,2-3H2,1H3,(H,9,12)(H,10,11)
InChIKeyYUNCUKASBCPOOA-UHFFFAOYSA-N
XLogP1.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-bromo-N-propyl-1H-pyrazole-3-carboxamide (CID 130709205) is 5-bromo-N-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-propyl-1H-pyrazole-3-carboxamide is CCCNC(=O)c1cc(Br)[nH]n1.
What is the InChIKey of 5-bromo-N-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is YUNCUKASBCPOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-2-3-9-7(12)5-4-6(8)11-10-5/h4H,2-3H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 5-bromo-N-propyl-1H-pyrazole-3-carboxamide?
5-bromo-N-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 232.08 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 130709205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).