methyl 2-(5-bromo-4-cyclopropyl-1-methylpyrazol-3-yl)acetate

C10H13BrN2O2 — CID 178084884

IUPACmethyl 2-(5-bromo-4-cyclopropyl-1-methylpyrazol-3-yl)acetate
SMILESCOC(=O)Cc1nn(C)c(Br)c1C1CC1
InChIInChI=1S/C10H13BrN2O2/c1-13-10(11)9(6-3-4-6)7(12-13)5-8(14)15-2/h6H,3-5H2,1-2H3
InChIKeyGVLALDYJTIPGFE-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.78
Rot. Bonds3

About methyl 2-(5-bromo-4-cyclopropyl-1-methylpyrazol-3-yl)acetate

methyl 2-(5-bromo-4-cyclopropyl-1-methylpyrazol-3-yl)acetate (PubChem CID 178084884) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is methyl 2-(5-bromo-4-cyclopropyl-1-methylpyrazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-4-cyclopropyl-1-methylpyrazol-3-yl)acetate
PubChem CID178084884
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Namemethyl 2-(5-bromo-4-cyclopropyl-1-methylpyrazol-3-yl)acetate
SMILESCOC(=O)Cc1nn(C)c(Br)c1C1CC1
InChIInChI=1S/C10H13BrN2O2/c1-13-10(11)9(6-3-4-6)7(12-13)5-8(14)15-2/h6H,3-5H2,1-2H3
InChIKeyGVLALDYJTIPGFE-UHFFFAOYSA-N
XLogP1.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(5-bromo-4-cyclopropyl-1-methylpyrazol-3-yl)acetate 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

Methyl 2-(1,4,5-trimethylpyrazol-3-yl)acetate
CID 57742241
Methyl 2-(5-bromo-1-methylpyrazol-3-yl)-3-methylbutanoate
CID 170351072
Methyl 2-(4-cyclopropyl-1-methylpyrazol-3-yl)acetate
CID 178084511
2-(4-Bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropylacetic acid
CID 83845080
2-(5-Bromo-1,4-dimethylpyrazol-3-yl)acetic acid
CID 83895399
2-(5-Bromo-1,4-dimethylpyrazol-3-yl)propanoic acid
CID 83900151
4-(5-Bromo-1,4-dimethylpyrazol-3-yl)butanoic acid
CID 83902009
2-(5-Bromo-1,4-dimethylpyrazol-3-yl)-3-methylbutanoic acid
CID 83904320
3-Bromo-2-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid
CID 83913283
3-Bromo-1-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid
CID 83913284
2-[1,5-Dimethyl-4-(oxan-4-yl)pyrazol-3-yl]acetic acid
CID 84149260
2-[1,3-Dimethyl-4-(oxan-4-yl)pyrazol-5-yl]acetic acid
CID 84149261

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-4-cyclopropyl-1-methylpyrazol-3-yl)acetate?
The IUPAC name of methyl 2-(5-bromo-4-cyclopropyl-1-methylpyrazol-3-yl)acetate (CID 178084884) is methyl 2-(5-bromo-4-cyclopropyl-1-methylpyrazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(5-bromo-4-cyclopropyl-1-methylpyrazol-3-yl)acetate?
The canonical SMILES for methyl 2-(5-bromo-4-cyclopropyl-1-methylpyrazol-3-yl)acetate is COC(=O)Cc1nn(C)c(Br)c1C1CC1.
What is the InChIKey of methyl 2-(5-bromo-4-cyclopropyl-1-methylpyrazol-3-yl)acetate?
The InChIKey is GVLALDYJTIPGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-13-10(11)9(6-3-4-6)7(12-13)5-8(14)15-2/h6H,3-5H2,1-2H3.
What are the key properties of methyl 2-(5-bromo-4-cyclopropyl-1-methylpyrazol-3-yl)acetate?
methyl 2-(5-bromo-4-cyclopropyl-1-methylpyrazol-3-yl)acetate has a molecular weight of 273.13 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-bromo-4-cyclopropyl-1-methylpyrazol-3-yl)acetate is sourced from PubChem (CID 178084884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).