3-bromo-1-methyl-5-(methylamino)pyrazole-4-carboxamide

C6H9BrN4O — CID 118024696

IUPAC3-bromo-1-methyl-5-(methylamino)pyrazole-4-carboxamide
SMILESCNc1c(C(N)=O)c(Br)nn1C
InChIInChI=1S/C6H9BrN4O/c1-9-6-3(5(8)12)4(7)10-11(6)2/h9H,1-2H3,(H2,8,12)
InChIKeyZAVZFZVCKWDVAU-UHFFFAOYSA-N
MW233.07 g/mol
LogP0.32
Rot. Bonds2

About 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carboxamide

3-bromo-1-methyl-5-(methylamino)pyrazole-4-carboxamide (PubChem CID 118024696) has the molecular formula C6H9BrN4O and a molecular weight of 233.07 g/mol. Its IUPAC name is 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-bromo-1-methyl-5-(methylamino)pyrazole-4-carboxamide
PubChem CID118024696
Molecular FormulaC6H9BrN4O
Molecular Weight233.07 g/mol
Exact Mass232.00
IUPAC Name3-bromo-1-methyl-5-(methylamino)pyrazole-4-carboxamide
SMILESCNc1c(C(N)=O)c(Br)nn1C
InChIInChI=1S/C6H9BrN4O/c1-9-6-3(5(8)12)4(7)10-11(6)2/h9H,1-2H3,(H2,8,12)
InChIKeyZAVZFZVCKWDVAU-UHFFFAOYSA-N
XLogP0.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.07
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-bromo-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135523800
3-amino-1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 136321308
5-amino-3-bromo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-4-carboxamide
CID 162755927
5-Amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide;ethane
CID 162755929
5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide
CID 162755930
Uwykksvmgfched-uhfffaoysa-
CID 15563728
Kyenlpvzgmzynd-uhfffaoysa-
CID 15563729
3,5-Diamino-1-methyl-1H-pyrazole-4-carboxamide
CID 20395947
5-Amino-3-bromo-1-ethylpyrazole-4-carboxamide
CID 118024604
5-Amino-3-bromo-1-methyl-1H-pyrazole-4-carboxamide
CID 118024877
5-Amino-3-bromo-1-isopropyl-1H-pyrazole-4-carboxamide
CID 130067081
5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide
CID 162380708

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carboxamide?
The IUPAC name of 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carboxamide (CID 118024696) is 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carboxamide.
What is the SMILES notation for 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carboxamide?
The canonical SMILES for 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carboxamide is CNc1c(C(N)=O)c(Br)nn1C.
What is the InChIKey of 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carboxamide?
The InChIKey is ZAVZFZVCKWDVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4O/c1-9-6-3(5(8)12)4(7)10-11(6)2/h9H,1-2H3,(H2,8,12).
What are the key properties of 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carboxamide?
3-bromo-1-methyl-5-(methylamino)pyrazole-4-carboxamide has a molecular weight of 233.07 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 118024696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).