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

C17H19ClN2O2 — CID 82591582

IUPAC2-[1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
SMILESCCc1nn(-c2cccc(Cl)c2)c2c1C(CC(=O)O)CCC2
InChIInChI=1S/C17H19ClN2O2/c1-2-14-17-11(9-16(21)22)5-3-8-15(17)20(19-14)13-7-4-6-12(18)10-13/h4,6-7,10-11H,2-3,5,8-9H2,1H3,(H,21,22)
InChIKeyJXPLMTSBYWJGPP-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.98
Rot. Bonds4

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

2-[1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid (PubChem CID 82591582) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
PubChem CID82591582
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-[1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
SMILESCCc1nn(-c2cccc(Cl)c2)c2c1C(CC(=O)O)CCC2
InChIInChI=1S/C17H19ClN2O2/c1-2-14-17-11(9-16(21)22)5-3-8-15(17)20(19-14)13-7-4-6-12(18)10-13/h4,6-7,10-11H,2-3,5,8-9H2,1H3,(H,21,22)
InChIKeyJXPLMTSBYWJGPP-UHFFFAOYSA-N
XLogP3.98
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 82592556
2-(1-phenyl-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 82591522
2-[1-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetonitrile
CID 82591864
2-[3-ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591417
2-[1-[3-(dimethylamino)propyl]-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591371
1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586595
[5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol
CID 43156530
5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
CID 71255665
2-(1-benzyl-3-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 82591381
2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82419701
1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 42820477
1-(3-chlorophenyl)-3-propylthieno[2,3-c]pyrazole-5-carboxylic acid
CID 43328358

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid (CID 82591582) is 2-[1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid is CCc1nn(-c2cccc(Cl)c2)c2c1C(CC(=O)O)CCC2.
What is the InChIKey of 2-[1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The InChIKey is JXPLMTSBYWJGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-2-14-17-11(9-16(21)22)5-3-8-15(17)20(19-14)13-7-4-6-12(18)10-13/h4,6-7,10-11H,2-3,5,8-9H2,1H3,(H,21,22).
What are the key properties of 2-[1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
2-[1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid has a molecular weight of 318.80 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid is sourced from PubChem (CID 82591582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).