3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C14H15N3O3 — CID 64835019

IUPAC3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H15N3O3/c1-14(2)10(11(14)13(19)20)12(18)16-8-3-4-9-7(5-8)6-15-17-9/h3-6,10-11H,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyIQIFUMIUIBYPDN-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.86
Rot. Bonds3

About 3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64835019) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64835019
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H15N3O3/c1-14(2)10(11(14)13(19)20)12(18)16-8-3-4-9-7(5-8)6-15-17-9/h3-6,10-11H,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyIQIFUMIUIBYPDN-UHFFFAOYSA-N
XLogP1.86
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64835019) is 3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is IQIFUMIUIBYPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-14(2)10(11(14)13(19)20)12(18)16-8-3-4-9-7(5-8)6-15-17-9/h3-6,10-11H,1-2H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64835019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).