3-cyclopropyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid

C11H14N2O3 — CID 83910741

IUPAC3-cyclopropyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESO=C(O)C1(O)CCCc2[nH]nc(C3CC3)c21
InChIInChI=1S/C11H14N2O3/c14-10(15)11(16)5-1-2-7-8(11)9(13-12-7)6-3-4-6/h6,16H,1-5H2,(H,12,13)(H,14,15)
InChIKeyMFMLDLIFMDIOPM-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.90
Rot. Bonds2

About 3-cyclopropyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid

3-cyclopropyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid (PubChem CID 83910741) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-cyclopropyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
PubChem CID83910741
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-cyclopropyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESO=C(O)C1(O)CCCc2[nH]nc(C3CC3)c21
InChIInChI=1S/C11H14N2O3/c14-10(15)11(16)5-1-2-7-8(11)9(13-12-7)6-3-4-6/h6,16H,1-5H2,(H,12,13)(H,14,15)
InChIKeyMFMLDLIFMDIOPM-UHFFFAOYSA-N
XLogP0.90
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
CID 73357528
3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 73357530
3-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 83861923
3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 83861933
4-Hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83906645
4-Hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83907960
3-cyclopropyl-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83909195
2-(4-Hydroxy-3-methyl-2,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 83909528
3-Ethyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83909534
4-Amino-3-cyclopropyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83910532
4-Hydroxy-3-propan-2-yl-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83911043
3-Bromo-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83913361

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The IUPAC name of 3-cyclopropyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid (CID 83910741) is 3-cyclopropyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid is O=C(O)C1(O)CCCc2[nH]nc(C3CC3)c21.
What is the InChIKey of 3-cyclopropyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The InChIKey is MFMLDLIFMDIOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-10(15)11(16)5-1-2-7-8(11)9(13-12-7)6-3-4-6/h6,16H,1-5H2,(H,12,13)(H,14,15).
What are the key properties of 3-cyclopropyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
3-cyclopropyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid is sourced from PubChem (CID 83910741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).