1-(2-prop-2-enylpyrazol-3-yl)cyclopropane-1-carboxylic acid

C10H12N2O2 — CID 84772336

IUPAC1-(2-prop-2-enylpyrazol-3-yl)cyclopropane-1-carboxylic acid
SMILESC=CCn1nccc1C1(C(=O)O)CC1
InChIInChI=1S/C10H12N2O2/c1-2-7-12-8(3-6-11-12)10(4-5-10)9(13)14/h2-3,6H,1,4-5,7H2,(H,13,14)
InChIKeyHAKUATFJIOTUDH-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.19
Rot. Bonds4

About 1-(2-prop-2-enylpyrazol-3-yl)cyclopropane-1-carboxylic acid

1-(2-prop-2-enylpyrazol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 84772336) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(2-prop-2-enylpyrazol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-prop-2-enylpyrazol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID84772336
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-(2-prop-2-enylpyrazol-3-yl)cyclopropane-1-carboxylic acid
SMILESC=CCn1nccc1C1(C(=O)O)CC1
InChIInChI=1S/C10H12N2O2/c1-2-7-12-8(3-6-11-12)10(4-5-10)9(13)14/h2-3,6H,1,4-5,7H2,(H,13,14)
InChIKeyHAKUATFJIOTUDH-UHFFFAOYSA-N
XLogP1.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-prop-2-enylpyrazol-3-yl)cyclopropane-1-carboxylic acid (CID 84772336) is 1-(2-prop-2-enylpyrazol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-prop-2-enylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-prop-2-enylpyrazol-3-yl)cyclopropane-1-carboxylic acid is C=CCn1nccc1C1(C(=O)O)CC1.
What is the InChIKey of 1-(2-prop-2-enylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is HAKUATFJIOTUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-7-12-8(3-6-11-12)10(4-5-10)9(13)14/h2-3,6H,1,4-5,7H2,(H,13,14).
What are the key properties of 1-(2-prop-2-enylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
1-(2-prop-2-enylpyrazol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enylpyrazol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84772336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).