3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid

C11H14N2O2 — CID 71222766

IUPAC3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
SMILESO=C(O)C1CCc2[nH]nc(C3CC3)c2C1
InChIInChI=1S/C11H14N2O2/c14-11(15)7-3-4-9-8(5-7)10(13-12-9)6-1-2-6/h6-7H,1-5H2,(H,12,13)(H,14,15)
InChIKeyTYEOMDHABVENDD-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.48
Rot. Bonds2

About 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid

3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid (PubChem CID 71222766) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
PubChem CID71222766
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
SMILESO=C(O)C1CCc2[nH]nc(C3CC3)c2C1
InChIInChI=1S/C11H14N2O2/c14-11(15)7-3-4-9-8(5-7)10(13-12-9)6-1-2-6/h6-7H,1-5H2,(H,12,13)(H,14,15)
InChIKeyTYEOMDHABVENDD-UHFFFAOYSA-N
XLogP1.48
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid (CID 71222766) is 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid is O=C(O)C1CCc2[nH]nc(C3CC3)c2C1.
What is the InChIKey of 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid?
The InChIKey is TYEOMDHABVENDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(15)7-3-4-9-8(5-7)10(13-12-9)6-1-2-6/h6-7H,1-5H2,(H,12,13)(H,14,15).
What are the key properties of 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid?
3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 71222766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).