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

C8H10N2O2 — CID 82414344

IUPAC2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid
SMILESO=C(O)CC1Cc2cn[nH]c2C1
InChIInChI=1S/C8H10N2O2/c11-8(12)3-5-1-6-4-9-10-7(6)2-5/h4-5H,1-3H2,(H,9,10)(H,11,12)
InChIKeySIJCTVKFHAUTTF-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.60
Rot. Bonds2

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

2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid (PubChem CID 82414344) 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-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid
PubChem CID82414344
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid
SMILESO=C(O)CC1Cc2cn[nH]c2C1
InChIInChI=1S/C8H10N2O2/c11-8(12)3-5-1-6-4-9-10-7(6)2-5/h4-5H,1-3H2,(H,9,10)(H,11,12)
InChIKeySIJCTVKFHAUTTF-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 71607210
2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
CID 82409116
2-(4-(2,2-dimethylpropyl)-1H-pyrazol-3-yl)acetic acid
CID 96622066
4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid hydrochloride
CID 155822215
2-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid
CID 71185055
3-fluoro-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid
CID 83817535
2-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 105478797
3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-5-carboxylic acid
CID 112485977
rac-(1R,2R)-2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]cyclopropane-1-carboxylic acid
CID 165629570
rac-(1R,3R)-2,2-dimethyl-3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]cyclopropane-1-carboxylic acid
CID 165667040
2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]cyclopropane-1-carboxylic acid
CID 165711932
3-(3-tert-butyl-1H-pyrazol-4-yl)-2,2-difluoropropanoic acid
CID 165743403

Frequently Asked Questions

What is the IUPAC name of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid?
The IUPAC name of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid (CID 82414344) is 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid.
What is the SMILES notation for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid?
The canonical SMILES for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid is O=C(O)CC1Cc2cn[nH]c2C1.
What is the InChIKey of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid?
The InChIKey is SIJCTVKFHAUTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8(12)3-5-1-6-4-9-10-7(6)2-5/h4-5H,1-3H2,(H,9,10)(H,11,12).
What are the key properties of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid?
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid has a molecular weight of 166.18 g/mol, XLogP of 0.60, 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-5-yl)acetic acid is sourced from PubChem (CID 82414344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).