2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide

C12H16BrN5O — CID 19531074

IUPAC2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCc1c(Br)cnn1CC(=O)N(C)Cc1ccnn1C
InChIInChI=1S/C12H16BrN5O/c1-9-11(13)6-15-18(9)8-12(19)16(2)7-10-4-5-14-17(10)3/h4-6H,7-8H2,1-3H3
InChIKeyGNPFFXDPYIXWMS-UHFFFAOYSA-N
MW326.20 g/mol
LogP1.35
Rot. Bonds4

About 2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide

2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 19531074) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
PubChem CID19531074
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCc1c(Br)cnn1CC(=O)N(C)Cc1ccnn1C
InChIInChI=1S/C12H16BrN5O/c1-9-11(13)6-15-18(9)8-12(19)16(2)7-10-4-5-14-17(10)3/h4-6H,7-8H2,1-3H3
InChIKeyGNPFFXDPYIXWMS-UHFFFAOYSA-N
XLogP1.35
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide 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

2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide
CID 19575088
2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19619342
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19531250
2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19531196
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531219
4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19515350
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458295
2-(4-bromo-5-methylpyrazol-1-yl)acetate
CID 7015020
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19460342
2-[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482808
4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19278178
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19540198

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide (CID 19531074) is 2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide is Cc1c(Br)cnn1CC(=O)N(C)Cc1ccnn1C.
What is the InChIKey of 2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is GNPFFXDPYIXWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-9-11(13)6-15-18(9)8-12(19)16(2)7-10-4-5-14-17(10)3/h4-6H,7-8H2,1-3H3.
What are the key properties of 2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide has a molecular weight of 326.20 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 19531074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).