1-[(2-methylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid

C9H11N3O3 — CID 62096981

IUPAC1-[(2-methylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCn1nccc1NC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C9H11N3O3/c1-12-6(2-5-10-12)11-7(13)9(3-4-9)8(14)15/h2,5H,3-4H2,1H3,(H,11,13)(H,14,15)
InChIKeyPSFKCLNHNWMDSX-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.22
Rot. Bonds3

About 1-[(2-methylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(2-methylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62096981) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-[(2-methylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62096981
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name1-[(2-methylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCn1nccc1NC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C9H11N3O3/c1-12-6(2-5-10-12)11-7(13)9(3-4-9)8(14)15/h2,5H,3-4H2,1H3,(H,11,13)(H,14,15)
InChIKeyPSFKCLNHNWMDSX-UHFFFAOYSA-N
XLogP0.22
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2-methylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 62096981) is 1-[(2-methylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid is Cn1nccc1NC(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[(2-methylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is PSFKCLNHNWMDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-12-6(2-5-10-12)11-7(13)9(3-4-9)8(14)15/h2,5H,3-4H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 1-[(2-methylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(2-methylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62096981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).