2-(3-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid

C10H14N2O2 — CID 82401229

IUPAC2-(3-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid
SMILESCCc1n[nH]c2c1CC(CC(=O)O)C2
InChIInChI=1S/C10H14N2O2/c1-2-8-7-3-6(5-10(13)14)4-9(7)12-11-8/h6H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyUNJXQFXRZBASEZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.16
Rot. Bonds3

About 2-(3-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid

2-(3-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid (PubChem CID 82401229) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(3-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid
PubChem CID82401229
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(3-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid
SMILESCCc1n[nH]c2c1CC(CC(=O)O)C2
InChIInChI=1S/C10H14N2O2/c1-2-8-7-3-6(5-10(13)14)4-9(7)12-11-8/h6H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyUNJXQFXRZBASEZ-UHFFFAOYSA-N
XLogP1.16
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 776058
3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid
CID 23005990
3-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 73357524
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 83858867
2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid
CID 71185030
2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid
CID 71185034
2-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid
CID 71185055
Ethyl 2-[3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetate
CID 71185076
ethyl 2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetate
CID 71185234
3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861625
2-[3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid
CID 83861629
5-amino-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid
CID 112483025

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid?
The IUPAC name of 2-(3-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid (CID 82401229) is 2-(3-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid is CCc1n[nH]c2c1CC(CC(=O)O)C2.
What is the InChIKey of 2-(3-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid?
The InChIKey is UNJXQFXRZBASEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-8-7-3-6(5-10(13)14)4-9(7)12-11-8/h6H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(3-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid?
2-(3-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid has a molecular weight of 194.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid is sourced from PubChem (CID 82401229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).