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

C9H12N2O2 — CID 83906434

IUPAC2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)propanoic acid
SMILESCC(C(=O)O)C1CCc2[nH]ncc21
InChIInChI=1S/C9H12N2O2/c1-5(9(12)13)6-2-3-8-7(6)4-10-11-8/h4-6H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyADMNLXQFTBTOFM-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.16
Rot. Bonds2

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

2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)propanoic acid (PubChem CID 83906434) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)propanoic acid
PubChem CID83906434
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)propanoic acid
SMILESCC(C(=O)O)C1CCc2[nH]ncc21
InChIInChI=1S/C9H12N2O2/c1-5(9(12)13)6-2-3-8-7(6)4-10-11-8/h4-6H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyADMNLXQFTBTOFM-UHFFFAOYSA-N
XLogP1.16
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.16
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
3-fluoro-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid
CID 83817535
2-[3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid
CID 83861629
2-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 105478797
rac-(1R,2R)-2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]cyclopropane-1-carboxylic acid
CID 165629570
3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]butanoic acid
CID 165632236
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-4-yl)propanoic acid?
The IUPAC name of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)propanoic acid (CID 83906434) is 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)propanoic acid is CC(C(=O)O)C1CCc2[nH]ncc21.
What is the InChIKey of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)propanoic acid?
The InChIKey is ADMNLXQFTBTOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5(9(12)13)6-2-3-8-7(6)4-10-11-8/h4-6H,2-3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)propanoic acid?
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)propanoic acid has a molecular weight of 180.21 g/mol, XLogP of 1.16, 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)propanoic acid is sourced from PubChem (CID 83906434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).