2-(3-ethyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-2-yl)acetic acid

C10H12F2N2O2 — CID 144694157

IUPAC2-(3-ethyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-2-yl)acetic acid
SMILESCCc1c2c(nn1CC(=O)O)C(F)(F)CC2
InChIInChI=1S/C10H12F2N2O2/c1-2-7-6-3-4-10(11,12)9(6)13-14(7)5-8(15)16/h2-5H2,1H3,(H,15,16)
InChIKeyPDVJCARVXGZGCD-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.57
Rot. Bonds3

About 2-(3-ethyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-2-yl)acetic acid

2-(3-ethyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-2-yl)acetic acid (PubChem CID 144694157) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-(3-ethyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-2-yl)acetic acid
PubChem CID144694157
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name2-(3-ethyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-2-yl)acetic acid
SMILESCCc1c2c(nn1CC(=O)O)C(F)(F)CC2
InChIInChI=1S/C10H12F2N2O2/c1-2-7-6-3-4-10(11,12)9(6)13-14(7)5-8(15)16/h2-5H2,1H3,(H,15,16)
InChIKeyPDVJCARVXGZGCD-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-2-yl)acetic acid?
The IUPAC name of 2-(3-ethyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-2-yl)acetic acid (CID 144694157) is 2-(3-ethyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-2-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-2-yl)acetic acid?
The canonical SMILES for 2-(3-ethyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-2-yl)acetic acid is CCc1c2c(nn1CC(=O)O)C(F)(F)CC2.
What is the InChIKey of 2-(3-ethyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-2-yl)acetic acid?
The InChIKey is PDVJCARVXGZGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-2-7-6-3-4-10(11,12)9(6)13-14(7)5-8(15)16/h2-5H2,1H3,(H,15,16).
What are the key properties of 2-(3-ethyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-2-yl)acetic acid?
2-(3-ethyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-2-yl)acetic acid has a molecular weight of 230.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-2-yl)acetic acid is sourced from PubChem (CID 144694157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).