1-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)cyclohexane-1-carboxamide

C12H19BrN4O — CID 79637457

IUPAC1-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)cyclohexane-1-carboxamide
SMILESCc1nn(C2CCCC(N)(C(N)=O)C2)c(C)c1Br
InChIInChI=1S/C12H19BrN4O/c1-7-10(13)8(2)17(16-7)9-4-3-5-12(15,6-9)11(14)18/h9H,3-6,15H2,1-2H3,(H2,14,18)
InChIKeyRJDAUYXLFGPGBM-UHFFFAOYSA-N
MW315.22 g/mol
LogP1.56
Rot. Bonds2

About 1-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)cyclohexane-1-carboxamide

1-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 79637457) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 1-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID79637457
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name1-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)cyclohexane-1-carboxamide
SMILESCc1nn(C2CCCC(N)(C(N)=O)C2)c(C)c1Br
InChIInChI=1S/C12H19BrN4O/c1-7-10(13)8(2)17(16-7)9-4-3-5-12(15,6-9)11(14)18/h9H,3-6,15H2,1-2H3,(H2,14,18)
InChIKeyRJDAUYXLFGPGBM-UHFFFAOYSA-N
XLogP1.56
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)cyclohexane-1-carboxamide (CID 79637457) is 1-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)cyclohexane-1-carboxamide is Cc1nn(C2CCCC(N)(C(N)=O)C2)c(C)c1Br.
What is the InChIKey of 1-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is RJDAUYXLFGPGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-7-10(13)8(2)17(16-7)9-4-3-5-12(15,6-9)11(14)18/h9H,3-6,15H2,1-2H3,(H2,14,18).
What are the key properties of 1-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)cyclohexane-1-carboxamide?
1-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 315.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79637457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).