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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Related Compounds

2-[3-(trifluoromethyl)-1H,4H,5H,6H-cyclopenta[c]pyrazol-1-yl]propanoic acid
CID 19616916
2-(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)acetic acid
CID 50987849
2-[1,5-Diethyl-3-(trifluoromethyl)pyrazol-4-yl]acetic acid
CID 91594510
2-(3-Ethyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-2-yl)acetic acid
CID 144694157
1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 176248383
2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]butanoic acid
CID 19616897
4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid
CID 19622719
(2S)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid
CID 42573995
(2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid
CID 42573998
(2S)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid
CID 42574010
(2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid
CID 42574013
3-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]butanoic acid
CID 83389352

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).