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

C10H12N2O2 — CID 112715028

IUPACspiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-carboxylic acid
SMILESO=C(O)C1c2[nH]ncc2CCC12CC2
InChIInChI=1S/C10H12N2O2/c13-9(14)7-8-6(5-11-12-8)1-2-10(7)3-4-10/h5,7H,1-4H2,(H,11,12)(H,13,14)
InChIKeyZPRIMOFHPACBTR-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.30
Rot. Bonds1

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

spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-carboxylic acid (PubChem CID 112715028) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-carboxylic acid.

Molecular Properties

Compound Namespiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-carboxylic acid
PubChem CID112715028
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namespiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-carboxylic acid
SMILESO=C(O)C1c2[nH]ncc2CCC12CC2
InChIInChI=1S/C10H12N2O2/c13-9(14)7-8-6(5-11-12-8)1-2-10(7)3-4-10/h5,7H,1-4H2,(H,11,12)(H,13,14)
InChIKeyZPRIMOFHPACBTR-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
(1R,2S,5R,8R,9S,10R,14R,15S,22R,23R)-1,2,5,8,9,15,22-heptamethyl-13-oxo-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-22-carboxylic acid
CID 118728754
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
2-(4-(2,2-dimethylpropyl)-1H-pyrazol-3-yl)acetic acid
CID 96622066
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

Frequently Asked Questions

What is the IUPAC name of spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-carboxylic acid?
The IUPAC name of spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-carboxylic acid (CID 112715028) is spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-carboxylic acid.
What is the SMILES notation for spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-carboxylic acid?
The canonical SMILES for spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-carboxylic acid is O=C(O)C1c2[nH]ncc2CCC12CC2.
What is the InChIKey of spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-carboxylic acid?
The InChIKey is ZPRIMOFHPACBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-9(14)7-8-6(5-11-12-8)1-2-10(7)3-4-10/h5,7H,1-4H2,(H,11,12)(H,13,14).
What are the key properties of spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-carboxylic acid?
spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-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[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-carboxylic acid is sourced from PubChem (CID 112715028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).