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

C11H13F3N2O2 — CID 19622719

IUPAC4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)10-7-3-1-4-8(7)16(15-10)6-2-5-9(17)18/h1-6H2,(H,17,18)
InChIKeyANVLDIZCEXPZDJ-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.26
Rot. Bonds4

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

4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid (PubChem CID 19622719) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid
PubChem CID19622719
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)10-7-3-1-4-8(7)16(15-10)6-2-5-9(17)18/h1-6H2,(H,17,18)
InChIKeyANVLDIZCEXPZDJ-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid?
The IUPAC name of 4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid (CID 19622719) is 4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid is O=C(O)CCCn1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of 4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid?
The InChIKey is ANVLDIZCEXPZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)10-7-3-1-4-8(7)16(15-10)6-2-5-9(17)18/h1-6H2,(H,17,18).
What are the key properties of 4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid?
4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid has a molecular weight of 262.23 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid is sourced from PubChem (CID 19622719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).