1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid

C8H10N2O2 — CID 37134560

IUPAC1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cn2cccn2)CC1
InChIInChI=1S/C8H10N2O2/c11-7(12)8(2-3-8)6-10-5-1-4-9-10/h1,4-5H,2-3,6H2,(H,11,12)
InChIKeyPAWQPEDNWKHQNR-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.75
Rot. Bonds3

About 1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid

1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid (PubChem CID 37134560) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid
PubChem CID37134560
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cn2cccn2)CC1
InChIInChI=1S/C8H10N2O2/c11-7(12)8(2-3-8)6-10-5-1-4-9-10/h1,4-5H,2-3,6H2,(H,11,12)
InChIKeyPAWQPEDNWKHQNR-UHFFFAOYSA-N
XLogP0.75
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid (CID 37134560) is 1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid is O=C(O)C1(Cn2cccn2)CC1.
What is the InChIKey of 1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid?
The InChIKey is PAWQPEDNWKHQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-7(12)8(2-3-8)6-10-5-1-4-9-10/h1,4-5H,2-3,6H2,(H,11,12).
What are the key properties of 1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid?
1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 37134560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).