2-[1-(2-hydroxyethyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid

C12H18N2O3 — CID 82591287

IUPAC2-[1-(2-hydroxyethyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
SMILESCc1nn(CCO)c2c1C(CC(=O)O)CCC2
InChIInChI=1S/C12H18N2O3/c1-8-12-9(7-11(16)17)3-2-4-10(12)14(13-8)5-6-15/h9,15H,2-7H2,1H3,(H,16,17)
InChIKeyIZPSFOIMARSGNX-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.08
Rot. Bonds4

About 2-[1-(2-hydroxyethyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid

2-[1-(2-hydroxyethyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid (PubChem CID 82591287) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
PubChem CID82591287
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[1-(2-hydroxyethyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
SMILESCc1nn(CCO)c2c1C(CC(=O)O)CCC2
InChIInChI=1S/C12H18N2O3/c1-8-12-9(7-11(16)17)3-2-4-10(12)14(13-8)5-6-15/h9,15H,2-7H2,1H3,(H,16,17)
InChIKeyIZPSFOIMARSGNX-UHFFFAOYSA-N
XLogP1.08
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591421
3-[4-(2-aminoethyl)-3-methyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid
CID 82592776
2-[1-[3-(dimethylamino)propyl]-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591371
3-[4-(cyanomethyl)-3-methyl-4,5,6,7-tetrahydroindazol-1-yl]propanamide
CID 82591880
2-(1-benzyl-3-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 82591381
2-[3-ethyl-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591399
2-[4-(aminomethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 82593218
3-[4-(2-aminoethyl)-3-ethyl-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid
CID 82592828
2-[4-(aminomethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 82593270
2-(1-phenyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 82591522
2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591417
(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine
CID 82593140

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxyethyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid (CID 82591287) is 2-[1-(2-hydroxyethyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxyethyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid is Cc1nn(CCO)c2c1C(CC(=O)O)CCC2.
What is the InChIKey of 2-[1-(2-hydroxyethyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The InChIKey is IZPSFOIMARSGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-12-9(7-11(16)17)3-2-4-10(12)14(13-8)5-6-15/h9,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-[1-(2-hydroxyethyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
2-[1-(2-hydroxyethyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid has a molecular weight of 238.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid is sourced from PubChem (CID 82591287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).