2-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropylacetic acid

C10H13BrN2O2 — CID 83845080

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropylacetic acid
SMILESCc1nn(C)c(C(C(=O)O)C2CC2)c1Br
InChIInChI=1S/C10H13BrN2O2/c1-5-8(11)9(13(2)12-5)7(10(14)15)6-3-4-6/h6-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyGMPOQIXKSFPBQQ-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.07
Rot. Bonds3

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropylacetic acid

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropylacetic acid (PubChem CID 83845080) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropylacetic acid
PubChem CID83845080
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropylacetic acid
SMILESCc1nn(C)c(C(C(=O)O)C2CC2)c1Br
InChIInChI=1S/C10H13BrN2O2/c1-5-8(11)9(13(2)12-5)7(10(14)15)6-3-4-6/h6-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyGMPOQIXKSFPBQQ-UHFFFAOYSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazole-5-acetic acid, 3-cyclopropyl-1-methyl-
CID 50896801
2-(4-bromo-3-ethyl-1-methyl-1H-pyrazol-5-yl)acetic acid
CID 65878185
2-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-2-methylpropanoic acid
CID 116818937
2-(4-Bromo-1,3-dimethylpyrazol-5-yl)-2-fluoroacetic acid
CID 84031289
2,2-dimethyl-1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid
CID 165693774
methyl 2-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)acetate
CID 57742252
2-(5-Cyclopropyl-1-methyl-1H-pyrazol-3-yl)acetic acid
CID 60136491
2-[5-(Carboxymethyl)-1,3-dimethylpyrazol-4-yl]acetic acid
CID 69015971
2-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)acetic acid
CID 70996237
2-(1,4,5-Trimethylpyrazol-3-yl)acetic acid
CID 82413375
Methyl 2-(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)acetate
CID 106942465
Methyl 2-(5-bromo-4-cyclopropyl-1-methylpyrazol-3-yl)acetate
CID 178084884

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropylacetic acid?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropylacetic acid (CID 83845080) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropylacetic acid is Cc1nn(C)c(C(C(=O)O)C2CC2)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropylacetic acid?
The InChIKey is GMPOQIXKSFPBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-5-8(11)9(13(2)12-5)7(10(14)15)6-3-4-6/h6-7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropylacetic acid?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropylacetic acid has a molecular weight of 273.13 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropylacetic acid is sourced from PubChem (CID 83845080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).