4-amino-1-(2-bromo-4-cyanophenyl)pyrazole-3-carboxamide

C11H8BrN5O — CID 107346677

IUPAC4-amino-1-(2-bromo-4-cyanophenyl)pyrazole-3-carboxamide
SMILESN#Cc1ccc(-n2cc(N)c(C(N)=O)n2)c(Br)c1
InChIInChI=1S/C11H8BrN5O/c12-7-3-6(4-13)1-2-9(7)17-5-8(14)10(16-17)11(15)18/h1-3,5H,14H2,(H2,15,18)
InChIKeyRHYJSNHCQSMOGI-UHFFFAOYSA-N
MW306.12 g/mol
LogP1.19
Rot. Bonds2

About 4-amino-1-(2-bromo-4-cyanophenyl)pyrazole-3-carboxamide

4-amino-1-(2-bromo-4-cyanophenyl)pyrazole-3-carboxamide (PubChem CID 107346677) has the molecular formula C11H8BrN5O and a molecular weight of 306.12 g/mol. Its IUPAC name is 4-amino-1-(2-bromo-4-cyanophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2-bromo-4-cyanophenyl)pyrazole-3-carboxamide
PubChem CID107346677
Molecular FormulaC11H8BrN5O
Molecular Weight306.12 g/mol
Exact Mass304.99
IUPAC Name4-amino-1-(2-bromo-4-cyanophenyl)pyrazole-3-carboxamide
SMILESN#Cc1ccc(-n2cc(N)c(C(N)=O)n2)c(Br)c1
InChIInChI=1S/C11H8BrN5O/c12-7-3-6(4-13)1-2-9(7)17-5-8(14)10(16-17)11(15)18/h1-3,5H,14H2,(H2,15,18)
InChIKeyRHYJSNHCQSMOGI-UHFFFAOYSA-N
XLogP1.19
TPSA110.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-bromo-4-cyanophenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-(2-bromo-4-cyanophenyl)pyrazole-3-carboxamide (CID 107346677) is 4-amino-1-(2-bromo-4-cyanophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-(2-bromo-4-cyanophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-(2-bromo-4-cyanophenyl)pyrazole-3-carboxamide is N#Cc1ccc(-n2cc(N)c(C(N)=O)n2)c(Br)c1.
What is the InChIKey of 4-amino-1-(2-bromo-4-cyanophenyl)pyrazole-3-carboxamide?
The InChIKey is RHYJSNHCQSMOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5O/c12-7-3-6(4-13)1-2-9(7)17-5-8(14)10(16-17)11(15)18/h1-3,5H,14H2,(H2,15,18).
What are the key properties of 4-amino-1-(2-bromo-4-cyanophenyl)pyrazole-3-carboxamide?
4-amino-1-(2-bromo-4-cyanophenyl)pyrazole-3-carboxamide has a molecular weight of 306.12 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-bromo-4-cyanophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 107346677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).