3-cyclopropyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid

C9H9F3N2O2 — CID 175566292

IUPAC3-cyclopropyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(C(F)C(F)F)nc1C1CC1
InChIInChI=1S/C9H9F3N2O2/c10-7(11)8(12)14-3-5(9(15)16)6(13-14)4-1-2-4/h3-4,7-8H,1-2H2,(H,15,16)
InChIKeyDYIMSDKWVRMSNM-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.19
Rot. Bonds4

About 3-cyclopropyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid

3-cyclopropyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid (PubChem CID 175566292) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
PubChem CID175566292
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name3-cyclopropyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(C(F)C(F)F)nc1C1CC1
InChIInChI=1S/C9H9F3N2O2/c10-7(11)8(12)14-3-5(9(15)16)6(13-14)4-1-2-4/h3-4,7-8H,1-2H2,(H,15,16)
InChIKeyDYIMSDKWVRMSNM-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid
CID 19622820
3-cyclopentyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid
CID 62633703
3-cyclopropyl-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxylic acid
CID 121366258
1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone
CID 83873172
3-cyclopentyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
CID 62633700
1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one
CID 112713436
3-[[3-(oxan-4-yl)-1-propan-2-ylpyrazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 138054878
1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-carboxylic acid
CID 65348133
1-(3-methylbutyl)-3-(oxolan-3-yl)pyrazole-4-carboxylic acid
CID 113483564
5-methyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
CID 175566202
3-tert-butyl-1-(1-cyclopropylethyl)pyrazole-4-carboxylic acid
CID 61271135
1-(4-bromo-2-methylphenyl)-3-cyclopentylpyrazole-4-carboxylic acid
CID 104508761

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid (CID 175566292) is 3-cyclopropyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid is O=C(O)c1cn(C(F)C(F)F)nc1C1CC1.
What is the InChIKey of 3-cyclopropyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid?
The InChIKey is DYIMSDKWVRMSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-7(11)8(12)14-3-5(9(15)16)6(13-14)4-1-2-4/h3-4,7-8H,1-2H2,(H,15,16).
What are the key properties of 3-cyclopropyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid?
3-cyclopropyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid has a molecular weight of 234.18 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 175566292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).