2-[1,5-diethyl-3-(trifluoromethyl)pyrazol-4-yl]acetic acid

C10H13F3N2O2 — CID 91594510

IUPAC2-[1,5-diethyl-3-(trifluoromethyl)pyrazol-4-yl]acetic acid
SMILESCCc1c(CC(=O)O)c(C(F)(F)F)nn1CC
InChIInChI=1S/C10H13F3N2O2/c1-3-7-6(5-8(16)17)9(10(11,12)13)14-15(7)4-2/h3-5H2,1-2H3,(H,16,17)
InChIKeyQBFMPKNGYGAFSV-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.11
Rot. Bonds4

About 2-[1,5-diethyl-3-(trifluoromethyl)pyrazol-4-yl]acetic acid

2-[1,5-diethyl-3-(trifluoromethyl)pyrazol-4-yl]acetic acid (PubChem CID 91594510) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-[1,5-diethyl-3-(trifluoromethyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1,5-diethyl-3-(trifluoromethyl)pyrazol-4-yl]acetic acid
PubChem CID91594510
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name2-[1,5-diethyl-3-(trifluoromethyl)pyrazol-4-yl]acetic acid
SMILESCCc1c(CC(=O)O)c(C(F)(F)F)nn1CC
InChIInChI=1S/C10H13F3N2O2/c1-3-7-6(5-8(16)17)9(10(11,12)13)14-15(7)4-2/h3-5H2,1-2H3,(H,16,17)
InChIKeyQBFMPKNGYGAFSV-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 3157816
3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 1084875
2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid
CID 7131172
5,6,7,8-Tetrahydro-3-(trifluoromethyl)-1(4H)-cycloheptapyrazolebutanoic acid
CID 654323
2-(trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 23005838
2-(trimethyl-1H-pyrazol-4-yl)acetic acid
CID 16227249
2-(3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl)acetic acid
CID 23005849
2-methyl-3-(trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 23005992
3-[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrazol-1-yl]propanoic acid
CID 25323871
2-[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid
CID 47002204
2-(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)acetic acid
CID 50987849
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]acetic acid
CID 63935788

Frequently Asked Questions

What is the IUPAC name of 2-[1,5-diethyl-3-(trifluoromethyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1,5-diethyl-3-(trifluoromethyl)pyrazol-4-yl]acetic acid (CID 91594510) is 2-[1,5-diethyl-3-(trifluoromethyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1,5-diethyl-3-(trifluoromethyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1,5-diethyl-3-(trifluoromethyl)pyrazol-4-yl]acetic acid is CCc1c(CC(=O)O)c(C(F)(F)F)nn1CC.
What is the InChIKey of 2-[1,5-diethyl-3-(trifluoromethyl)pyrazol-4-yl]acetic acid?
The InChIKey is QBFMPKNGYGAFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-3-7-6(5-8(16)17)9(10(11,12)13)14-15(7)4-2/h3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-[1,5-diethyl-3-(trifluoromethyl)pyrazol-4-yl]acetic acid?
2-[1,5-diethyl-3-(trifluoromethyl)pyrazol-4-yl]acetic acid has a molecular weight of 250.22 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,5-diethyl-3-(trifluoromethyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 91594510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).