2,2-difluoro-3-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanoic acid

C10H12F2N2O2 — CID 165490617

IUPAC2,2-difluoro-3-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanoic acid
SMILESCn1nc2c(c1CC(F)(F)C(=O)O)CCC2
InChIInChI=1S/C10H12F2N2O2/c1-14-8(5-10(11,12)9(15)16)6-3-2-4-7(6)13-14/h2-5H2,1H3,(H,15,16)
InChIKeyUSKKUNIHJCFTIQ-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.17
Rot. Bonds3

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

2,2-difluoro-3-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanoic acid (PubChem CID 165490617) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2,2-difluoro-3-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanoic acid
PubChem CID165490617
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name2,2-difluoro-3-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanoic acid
SMILESCn1nc2c(c1CC(F)(F)C(=O)O)CCC2
InChIInChI=1S/C10H12F2N2O2/c1-14-8(5-10(11,12)9(15)16)6-3-2-4-7(6)13-14/h2-5H2,1H3,(H,15,16)
InChIKeyUSKKUNIHJCFTIQ-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanoic acid?
The IUPAC name of 2,2-difluoro-3-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanoic acid (CID 165490617) is 2,2-difluoro-3-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanoic acid?
The canonical SMILES for 2,2-difluoro-3-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanoic acid is Cn1nc2c(c1CC(F)(F)C(=O)O)CCC2.
What is the InChIKey of 2,2-difluoro-3-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanoic acid?
The InChIKey is USKKUNIHJCFTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-14-8(5-10(11,12)9(15)16)6-3-2-4-7(6)13-14/h2-5H2,1H3,(H,15,16).
What are the key properties of 2,2-difluoro-3-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanoic acid?
2,2-difluoro-3-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanoic acid has a molecular weight of 230.21 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanoic acid is sourced from PubChem (CID 165490617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).