(2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid

C11H13F3N2O2 — CID 42573998

IUPAC(2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid
SMILESCC[C@H](C(=O)O)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C11H13F3N2O2/c1-2-7(10(17)18)16-8-5-3-4-6(8)9(15-16)11(12,13)14/h7H,2-5H2,1H3,(H,17,18)/t7-/m1/s1
InChIKeyXQVVJBMGDGMJQN-SSDOTTSWSA-N
MW262.23 g/mol
LogP2.43
Rot. Bonds3

About (2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid

(2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid (PubChem CID 42573998) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is (2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid
PubChem CID42573998
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name(2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid
SMILESCC[C@H](C(=O)O)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C11H13F3N2O2/c1-2-7(10(17)18)16-8-5-3-4-6(8)9(15-16)11(12,13)14/h7H,2-5H2,1H3,(H,17,18)/t7-/m1/s1
InChIKeyXQVVJBMGDGMJQN-SSDOTTSWSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid?
The IUPAC name of (2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid (CID 42573998) is (2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid.
What is the SMILES notation for (2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid?
The canonical SMILES for (2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid is CC[C@H](C(=O)O)n1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of (2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid?
The InChIKey is XQVVJBMGDGMJQN-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-2-7(10(17)18)16-8-5-3-4-6(8)9(15-16)11(12,13)14/h7H,2-5H2,1H3,(H,17,18)/t7-/m1/s1.
What are the key properties of (2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid?
(2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid has a molecular weight of 262.23 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid is sourced from PubChem (CID 42573998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).