1-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid

C8H10N2O2 — CID 82597064

IUPAC1-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCn1ccc(C2(C(=O)O)CC2)n1
InChIInChI=1S/C8H10N2O2/c1-10-5-2-6(9-10)8(3-4-8)7(11)12/h2,5H,3-4H2,1H3,(H,11,12)
InChIKeyMIPXAQKNYKSFPM-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.54
Rot. Bonds2

About 1-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid

1-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 82597064) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID82597064
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCn1ccc(C2(C(=O)O)CC2)n1
InChIInChI=1S/C8H10N2O2/c1-10-5-2-6(9-10)8(3-4-8)7(11)12/h2,5H,3-4H2,1H3,(H,11,12)
InChIKeyMIPXAQKNYKSFPM-UHFFFAOYSA-N
XLogP0.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid (CID 82597064) is 1-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid is Cn1ccc(C2(C(=O)O)CC2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is MIPXAQKNYKSFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10-5-2-6(9-10)8(3-4-8)7(11)12/h2,5H,3-4H2,1H3,(H,11,12).
What are the key properties of 1-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
1-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82597064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).