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

C11H14N2O2 — CID 83861933

IUPAC3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
SMILESO=C(O)C1CCCc2[nH]nc(C3CC3)c21
InChIInChI=1S/C11H14N2O2/c14-11(15)7-2-1-3-8-9(7)10(13-12-8)6-4-5-6/h6-7H,1-5H2,(H,12,13)(H,14,15)
InChIKeyFNQIOZPPMQFHGI-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.79
Rot. Bonds2

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

3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid (PubChem CID 83861933) 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-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
PubChem CID83861933
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
SMILESO=C(O)C1CCCc2[nH]nc(C3CC3)c21
InChIInChI=1S/C11H14N2O2/c14-11(15)7-2-1-3-8-9(7)10(13-12-8)6-4-5-6/h6-7H,1-5H2,(H,12,13)(H,14,15)
InChIKeyFNQIOZPPMQFHGI-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 655114
3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)propanoic acid
CID 6483899
5-Ethyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 3159641
2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 21258059
2-(3,5-diethyl-1H-pyrazol-4-yl)acetic acid
CID 50987854
5-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 57561759
3-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 73357524
(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 7099386
4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 71695302
3-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid hydrochloride
CID 177800146
2-[3-(Trifluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid
CID 71184893
2-[4,4-difluoro-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-1H-cyclopropa[g]indazol-5-yl]acetic acid
CID 71185029

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid?
The IUPAC name of 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid (CID 83861933) is 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid is O=C(O)C1CCCc2[nH]nc(C3CC3)c21.
What is the InChIKey of 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid?
The InChIKey is FNQIOZPPMQFHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(15)7-2-1-3-8-9(7)10(13-12-8)6-4-5-6/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-4-carboxylic acid?
3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 1.79, 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-4-carboxylic acid is sourced from PubChem (CID 83861933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).