2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid

C7H8F2N2O2 — CID 84719460

IUPAC2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid
SMILESCc1c(C(F)(F)C(=O)O)cnn1C
InChIInChI=1S/C7H8F2N2O2/c1-4-5(3-10-11(4)2)7(8,9)6(12)13/h3H,1-2H3,(H,12,13)
InChIKeySCQGAFRSWKVBCJ-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.90
Rot. Bonds2

About 2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid

2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid (PubChem CID 84719460) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid
PubChem CID84719460
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid
SMILESCc1c(C(F)(F)C(=O)O)cnn1C
InChIInChI=1S/C7H8F2N2O2/c1-4-5(3-10-11(4)2)7(8,9)6(12)13/h3H,1-2H3,(H,12,13)
InChIKeySCQGAFRSWKVBCJ-UHFFFAOYSA-N
XLogP0.90
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid
CID 82406813
1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione
CID 17024719
ethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate
CID 129386918
2-methyl-3-oxo-5-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 117127664
4-tert-butyl-1,5-dimethylpyrazole;formamide
CID 155706087
2-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62817198
2-[(1,5-dimethylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78925294
(E)-3-(1,5-dimethylpyrazol-4-yl)prop-2-enoic acid
CID 5374061
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid
CID 79806439
N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 19399796
tert-butyl 1,5-dimethylpyrazole-4-carboxylate
CID 63897009
2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid
CID 115015041

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid (CID 84719460) is 2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid is Cc1c(C(F)(F)C(=O)O)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid?
The InChIKey is SCQGAFRSWKVBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-4-5(3-10-11(4)2)7(8,9)6(12)13/h3H,1-2H3,(H,12,13).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid?
2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid has a molecular weight of 190.15 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid is sourced from PubChem (CID 84719460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).