4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide

C12H11BrN4O — CID 47080055

IUPAC4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C12H11BrN4O/c13-9-10(7-3-4-7)16-17-11(9)12(18)15-8-2-1-5-14-6-8/h1-2,5-7H,3-4H2,(H,15,18)(H,16,17)
InChIKeyYVIMPCVWNJCBDN-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.70
Rot. Bonds3

About 4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide

4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide (PubChem CID 47080055) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide
PubChem CID47080055
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C12H11BrN4O/c13-9-10(7-3-4-7)16-17-11(9)12(18)15-8-2-1-5-14-6-8/h1-2,5-7H,3-4H2,(H,15,18)(H,16,17)
InChIKeyYVIMPCVWNJCBDN-UHFFFAOYSA-N
XLogP2.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide (CID 47080055) is 4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide is O=C(Nc1cccnc1)c1n[nH]c(C2CC2)c1Br.
What is the InChIKey of 4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide?
The InChIKey is YVIMPCVWNJCBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c13-9-10(7-3-4-7)16-17-11(9)12(18)15-8-2-1-5-14-6-8/h1-2,5-7H,3-4H2,(H,15,18)(H,16,17).
What are the key properties of 4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide?
4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide has a molecular weight of 307.15 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47080055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).