4-bromo-1-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide

C10H12BrN5O — CID 19575588

IUPAC4-bromo-1-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
SMILESCn1ccc(CNC(=O)c2c(Br)cnn2C)n1
InChIInChI=1S/C10H12BrN5O/c1-15-4-3-7(14-15)5-12-10(17)9-8(11)6-13-16(9)2/h3-4,6H,5H2,1-2H3,(H,12,17)
InChIKeyFVNMLOLEVFQBAJ-UHFFFAOYSA-N
MW298.14 g/mol
LogP0.85
Rot. Bonds3

About 4-bromo-1-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide

4-bromo-1-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide (PubChem CID 19575588) has the molecular formula C10H12BrN5O and a molecular weight of 298.14 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
PubChem CID19575588
Molecular FormulaC10H12BrN5O
Molecular Weight298.14 g/mol
Exact Mass297.02
IUPAC Name4-bromo-1-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
SMILESCn1ccc(CNC(=O)c2c(Br)cnn2C)n1
InChIInChI=1S/C10H12BrN5O/c1-15-4-3-7(14-15)5-12-10(17)9-8(11)6-13-16(9)2/h3-4,6H,5H2,1-2H3,(H,12,17)
InChIKeyFVNMLOLEVFQBAJ-UHFFFAOYSA-N
XLogP0.85
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-1-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-5-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 4-bromo-1-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide (CID 19575588) is 4-bromo-1-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide is Cn1ccc(CNC(=O)c2c(Br)cnn2C)n1.
What is the InChIKey of 4-bromo-1-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is FVNMLOLEVFQBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O/c1-15-4-3-7(14-15)5-12-10(17)9-8(11)6-13-16(9)2/h3-4,6H,5H2,1-2H3,(H,12,17).
What are the key properties of 4-bromo-1-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide?
4-bromo-1-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 298.14 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 19575588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).