1-(2,2-difluoropropyl)pyrazole-4-carboxylic acid

C7H8F2N2O2 — CID 84662382

IUPAC1-(2,2-difluoropropyl)pyrazole-4-carboxylic acid
SMILESCC(F)(F)Cn1cc(C(=O)O)cn1
InChIInChI=1S/C7H8F2N2O2/c1-7(8,9)4-11-3-5(2-10-11)6(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyNCHFXOODEFYSKT-UHFFFAOYSA-N
MW190.15 g/mol
LogP1.24
Rot. Bonds3

About 1-(2,2-difluoropropyl)pyrazole-4-carboxylic acid

1-(2,2-difluoropropyl)pyrazole-4-carboxylic acid (PubChem CID 84662382) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)pyrazole-4-carboxylic acid
PubChem CID84662382
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name1-(2,2-difluoropropyl)pyrazole-4-carboxylic acid
SMILESCC(F)(F)Cn1cc(C(=O)O)cn1
InChIInChI=1S/C7H8F2N2O2/c1-7(8,9)4-11-3-5(2-10-11)6(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyNCHFXOODEFYSKT-UHFFFAOYSA-N
XLogP1.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]ethanone
CID 84659607
1-(3,3-dimethyl-2-oxobutyl)pyrazole-4-carboxylic acid
CID 121200111
1-(2-methylidenebutyl)pyrazole-4-carboxylic acid
CID 66045018
1-[[1-(3,3,3-trifluoro-2,2-dihydroxypropyl)pyrazol-4-yl]methyl]pyrazole-4-carboxylic acid
CID 166738244
1-[(E)-but-2-enyl]pyrazole-4-carboxylic acid
CID 43565379
lithium 1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylate
CID 171808216
1-[2-(propan-2-ylamino)ethyl]pyrazole-4-carboxylic acid
CID 162751377
1-(cyanomethyl)pyrazole-4-carboxylic acid
CID 43565339
1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazole-4-carboxylic acid
CID 106438903
2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxylic acid
CID 84662994
1-fluoropyrazole-4-carboxylic acid
CID 89478516
3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 81499103

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(2,2-difluoropropyl)pyrazole-4-carboxylic acid (CID 84662382) is 1-(2,2-difluoropropyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoropropyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoropropyl)pyrazole-4-carboxylic acid is CC(F)(F)Cn1cc(C(=O)O)cn1.
What is the InChIKey of 1-(2,2-difluoropropyl)pyrazole-4-carboxylic acid?
The InChIKey is NCHFXOODEFYSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-7(8,9)4-11-3-5(2-10-11)6(12)13/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 1-(2,2-difluoropropyl)pyrazole-4-carboxylic acid?
1-(2,2-difluoropropyl)pyrazole-4-carboxylic acid has a molecular weight of 190.15 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 84662382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).