2-(3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid

C12H16N2O2 — CID 83861596

IUPAC2-(3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
SMILESCn1nc(C2CC2)c2c1CCC2CC(=O)O
InChIInChI=1S/C12H16N2O2/c1-14-9-5-4-8(6-10(15)16)11(9)12(13-14)7-2-3-7/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyVGDIAQGMJXBCDZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.80
Rot. Bonds3

About 2-(3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid

2-(3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid (PubChem CID 83861596) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
PubChem CID83861596
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
SMILESCn1nc(C2CC2)c2c1CCC2CC(=O)O
InChIInChI=1S/C12H16N2O2/c1-14-9-5-4-8(6-10(15)16)11(9)12(13-14)7-2-3-7/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyVGDIAQGMJXBCDZ-UHFFFAOYSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 3157816
3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 1084875
2-methyl-3-(trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 23005992
3-[1-(ethoxymethyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-methylpropanoic acid
CID 121553718
3-(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)propanoic acid
CID 50987850
4,4,4-trifluoro-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)butanoic acid
CID 63154984
1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861572
(3R)-4,4,4-trifluoro-3-(1,3,5-trimethylpyrazol-4-yl)butanoic acid
CID 95022416
(3S)-4,4,4-trifluoro-3-(1,3,5-trimethylpyrazol-4-yl)butanoic acid
CID 95022417
2-Fluoro-3-(1,3,5-trimethylpyrazol-4-yl)butanoic acid
CID 130840915
2,2-difluoro-3-{2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}propanoic acid
CID 165490617
2-fluoro-2-{2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 165493434

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid (CID 83861596) is 2-(3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid is Cn1nc(C2CC2)c2c1CCC2CC(=O)O.
What is the InChIKey of 2-(3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid?
The InChIKey is VGDIAQGMJXBCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-9-5-4-8(6-10(15)16)11(9)12(13-14)7-2-3-7/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-(3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid?
2-(3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid has a molecular weight of 220.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid is sourced from PubChem (CID 83861596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).