2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid

C9H11N3O3 — CID 61283327

IUPAC2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C9H11N3O3/c13-8(6-3-7(6)9(14)15)10-4-5-1-2-11-12-5/h1-2,6-7H,3-4H2,(H,10,13)(H,11,12)(H,14,15)
InChIKeyWGCVZOSONPSVDV-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.25
Rot. Bonds4

About 2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid

2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 61283327) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID61283327
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C9H11N3O3/c13-8(6-3-7(6)9(14)15)10-4-5-1-2-11-12-5/h1-2,6-7H,3-4H2,(H,10,13)(H,11,12)(H,14,15)
InChIKeyWGCVZOSONPSVDV-UHFFFAOYSA-N
XLogP-0.25
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid (CID 61283327) is 2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NCc1ccn[nH]1.
What is the InChIKey of 2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is WGCVZOSONPSVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-8(6-3-7(6)9(14)15)10-4-5-1-2-11-12-5/h1-2,6-7H,3-4H2,(H,10,13)(H,11,12)(H,14,15).
What are the key properties of 2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 61283327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).