5-amino-1-(4-bromophenyl)-4-cyanopyrazole-3-carboxylic acid

C11H7BrN4O2 — CID 13426030

IUPAC5-amino-1-(4-bromophenyl)-4-cyanopyrazole-3-carboxylic acid
SMILESN#Cc1c(C(=O)O)nn(-c2ccc(Br)cc2)c1N
InChIInChI=1S/C11H7BrN4O2/c12-6-1-3-7(4-2-6)16-10(14)8(5-13)9(15-16)11(17)18/h1-4H,14H2,(H,17,18)
InChIKeySWZICURABMOWOY-UHFFFAOYSA-N
MW307.11 g/mol
LogP1.79
Rot. Bonds2

About 5-amino-1-(4-bromophenyl)-4-cyanopyrazole-3-carboxylic acid

5-amino-1-(4-bromophenyl)-4-cyanopyrazole-3-carboxylic acid (PubChem CID 13426030) has the molecular formula C11H7BrN4O2 and a molecular weight of 307.11 g/mol. Its IUPAC name is 5-amino-1-(4-bromophenyl)-4-cyanopyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-(4-bromophenyl)-4-cyanopyrazole-3-carboxylic acid
PubChem CID13426030
Molecular FormulaC11H7BrN4O2
Molecular Weight307.11 g/mol
Exact Mass305.98
IUPAC Name5-amino-1-(4-bromophenyl)-4-cyanopyrazole-3-carboxylic acid
SMILESN#Cc1c(C(=O)O)nn(-c2ccc(Br)cc2)c1N
InChIInChI=1S/C11H7BrN4O2/c12-6-1-3-7(4-2-6)16-10(14)8(5-13)9(15-16)11(17)18/h1-4H,14H2,(H,17,18)
InChIKeySWZICURABMOWOY-UHFFFAOYSA-N
XLogP1.79
TPSA104.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.11
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-[4-(carboxymethyl)phenyl]-4-cyanopyrazole-3-carboxylic acid
CID 82589932
5-amino-1-[(4-bromophenyl)methyl]-4-cyanopyrazole-3-carboxylic acid
CID 82589897
5-amino-3-benzoyl-1-(4-chlorophenyl)pyrazole-4-carbonitrile
CID 14362916
5-amino-1-(4-bromophenyl)-3-(2-phenoxyethoxy)pyrazole-4-carbonitrile
CID 16784685
5-amino-4-cyano-1-methylpyrazole-3-carboxylic acid
CID 82589854
ethyl 5-amino-1-(3-bromophenyl)-4-cyanopyrazole-3-carboxylate
CID 46739210
5-amino-3-[2-[5-(4-bromophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
CID 3100079
5-amino-3-(3-aminopyrrolidin-1-yl)-1-(4-bromophenyl)pyrazole-4-carbonitrile
CID 102796328
5-amino-4-cyano-1-(2-methyl-5-nitrophenyl)pyrazole-3-carboxylic acid
CID 82589934
1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonitrile
CID 39375121
3,5-diamino-1-(4-cyanophenyl)pyrazole-4-carbonitrile
CID 102825781
1-(4-carboxyphenyl)-5-cyano-4-methyl-6-oxopyridazine-3-carboxylic acid
CID 22112759

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-bromophenyl)-4-cyanopyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-1-(4-bromophenyl)-4-cyanopyrazole-3-carboxylic acid (CID 13426030) is 5-amino-1-(4-bromophenyl)-4-cyanopyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-(4-bromophenyl)-4-cyanopyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-1-(4-bromophenyl)-4-cyanopyrazole-3-carboxylic acid is N#Cc1c(C(=O)O)nn(-c2ccc(Br)cc2)c1N.
What is the InChIKey of 5-amino-1-(4-bromophenyl)-4-cyanopyrazole-3-carboxylic acid?
The InChIKey is SWZICURABMOWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4O2/c12-6-1-3-7(4-2-6)16-10(14)8(5-13)9(15-16)11(17)18/h1-4H,14H2,(H,17,18).
What are the key properties of 5-amino-1-(4-bromophenyl)-4-cyanopyrazole-3-carboxylic acid?
5-amino-1-(4-bromophenyl)-4-cyanopyrazole-3-carboxylic acid has a molecular weight of 307.11 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-bromophenyl)-4-cyanopyrazole-3-carboxylic acid is sourced from PubChem (CID 13426030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).