spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-4-carboxylic acid

C10H12N2O2 — CID 82402824

IUPACspiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-4-carboxylic acid
SMILESO=C(O)C1c2cn[nH]c2CCC12CC2
InChIInChI=1S/C10H12N2O2/c13-9(14)8-6-5-11-12-7(6)1-2-10(8)3-4-10/h5,8H,1-4H2,(H,11,12)(H,13,14)
InChIKeyKNIHQJWSDFIEHQ-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.30
Rot. Bonds1

About spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-4-carboxylic acid

spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-4-carboxylic acid (PubChem CID 82402824) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-4-carboxylic acid.

Molecular Properties

Compound Namespiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-4-carboxylic acid
PubChem CID82402824
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namespiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-4-carboxylic acid
SMILESO=C(O)C1c2cn[nH]c2CCC12CC2
InChIInChI=1S/C10H12N2O2/c13-9(14)8-6-5-11-12-7(6)1-2-10(8)3-4-10/h5,8H,1-4H2,(H,11,12)(H,13,14)
InChIKeyKNIHQJWSDFIEHQ-UHFFFAOYSA-N
XLogP1.30
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 56807087
methyl 4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
CID 54595497
4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
CID 68504449
4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 71607210
4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 71695302
methyl 4,5,6,7-tetrahydro-1H-indazole-4-carboxylate
CID 71756054
2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetic acid
CID 82409068
2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
CID 82409116
methyl 4,5,6,7-tetrahydro-1H-indazole-7-carboxylate
CID 117274044
4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid hydrochloride
CID 132353812
4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid hydrochloride
CID 155822215
2-[5-(10,10-difluorodecyl)-1H-pyrazol-4-yl]acetic acid
CID 158205452

Frequently Asked Questions

What is the IUPAC name of spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-4-carboxylic acid?
The IUPAC name of spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-4-carboxylic acid (CID 82402824) is spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-4-carboxylic acid.
What is the SMILES notation for spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-4-carboxylic acid?
The canonical SMILES for spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-4-carboxylic acid is O=C(O)C1c2cn[nH]c2CCC12CC2.
What is the InChIKey of spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-4-carboxylic acid?
The InChIKey is KNIHQJWSDFIEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-9(14)8-6-5-11-12-7(6)1-2-10(8)3-4-10/h5,8H,1-4H2,(H,11,12)(H,13,14).
What are the key properties of spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-4-carboxylic acid?
spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-4-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-4-carboxylic acid is sourced from PubChem (CID 82402824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).