2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide

C11H14BrN5O — CID 19524572

IUPAC2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide
SMILESCCn1cc(CNC(=O)Cn2cc(Br)cn2)cn1
InChIInChI=1S/C11H14BrN5O/c1-2-16-6-9(4-14-16)3-13-11(18)8-17-7-10(12)5-15-17/h4-7H,2-3,8H2,1H3,(H,13,18)
InChIKeyIZWVWWHGDMHIGX-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.18
Rot. Bonds5

About 2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide

2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide (PubChem CID 19524572) has the molecular formula C11H14BrN5O and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide
PubChem CID19524572
Molecular FormulaC11H14BrN5O
Molecular Weight312.17 g/mol
Exact Mass311.04
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide
SMILESCCn1cc(CNC(=O)Cn2cc(Br)cn2)cn1
InChIInChI=1S/C11H14BrN5O/c1-2-16-6-9(4-14-16)3-13-11(18)8-17-7-10(12)5-15-17/h4-7H,2-3,8H2,1H3,(H,13,18)
InChIKeyIZWVWWHGDMHIGX-UHFFFAOYSA-N
XLogP1.18
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-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

(1-ethylpyrazol-4-yl)methylurea
CID 131065199
3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290716
N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide
CID 62127943
N-[(1-ethylpyrazol-4-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519123
2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide
CID 19297618
2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide
CID 62125646
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19475319
2,4,6-tribromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62126001
methyl 3,5-dibromo-2-[(1-ethylpyrazol-4-yl)methylamino]benzoate
CID 103569354
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19333314
3-(4-bromopyrazol-1-yl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19564654

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide (CID 19524572) is 2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide is CCn1cc(CNC(=O)Cn2cc(Br)cn2)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is IZWVWWHGDMHIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O/c1-2-16-6-9(4-14-16)3-13-11(18)8-17-7-10(12)5-15-17/h4-7H,2-3,8H2,1H3,(H,13,18).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide?
2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 312.17 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 19524572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).