2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid

C12H11N3O3 — CID 54868364

IUPAC2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C12H11N3O3/c16-11(7-4-8(7)12(17)18)14-9-3-1-2-6-5-13-15-10(6)9/h1-3,5,7-8H,4H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyZCODTLFQKBASIO-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.22
Rot. Bonds3

About 2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid

2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 54868364) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID54868364
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C12H11N3O3/c16-11(7-4-8(7)12(17)18)14-9-3-1-2-6-5-13-15-10(6)9/h1-3,5,7-8H,4H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyZCODTLFQKBASIO-UHFFFAOYSA-N
XLogP1.22
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid (CID 54868364) is 2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)Nc1cccc2cn[nH]c12.
What is the InChIKey of 2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is ZCODTLFQKBASIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c16-11(7-4-8(7)12(17)18)14-9-3-1-2-6-5-13-15-10(6)9/h1-3,5,7-8H,4H2,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54868364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).