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

C8H10N2O2 — CID 82414343

IUPAC2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid
SMILESO=C(O)CC1CCc2[nH]ncc21
InChIInChI=1S/C8H10N2O2/c11-8(12)3-5-1-2-7-6(5)4-9-10-7/h4-5H,1-3H2,(H,9,10)(H,11,12)
InChIKeyZVKGSBDFILFJEX-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.91
Rot. Bonds2

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

2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid (PubChem CID 82414343) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid
PubChem CID82414343
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid
SMILESO=C(O)CC1CCc2[nH]ncc21
InChIInChI=1S/C8H10N2O2/c11-8(12)3-5-1-2-7-6(5)4-9-10-7/h4-5H,1-3H2,(H,9,10)(H,11,12)
InChIKeyZVKGSBDFILFJEX-UHFFFAOYSA-N
XLogP0.91
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl)acetic acid
CID 82414310
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine
CID 83861633
2-(5,6-dihydro-4H-cyclopenta[c][1,2]thiazol-4-yl)acetic acid
CID 82407160
4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole
CID 174351058
2-(5,6-dihydro-4H-cyclopenta[c]thiophen-4-yl)acetic acid
CID 83906666
N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 130625748
2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid
CID 83907980
2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 123427549
azetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 166254151
2-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetic acid
CID 81104414
2-(5,6-dihydro-4H-cyclopenta[c][1,2]thiazol-6-yl)acetic acid
CID 82407162
(6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 95566509

Frequently Asked Questions

What is the IUPAC name of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid (CID 82414343) is 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid is O=C(O)CC1CCc2[nH]ncc21.
What is the InChIKey of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid?
The InChIKey is ZVKGSBDFILFJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8(12)3-5-1-2-7-6(5)4-9-10-7/h4-5H,1-3H2,(H,9,10)(H,11,12).
What are the key properties of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid?
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid has a molecular weight of 166.18 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid is sourced from PubChem (CID 82414343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).