2-(1-ethyl-4-methylpyrazol-5-yl)-2,2-difluoroacetic acid

C8H10F2N2O2 — CID 115023238

IUPAC2-(1-ethyl-4-methylpyrazol-5-yl)-2,2-difluoroacetic acid
SMILESCCn1ncc(C)c1C(F)(F)C(=O)O
InChIInChI=1S/C8H10F2N2O2/c1-3-12-6(5(2)4-11-12)8(9,10)7(13)14/h4H,3H2,1-2H3,(H,13,14)
InChIKeyWCLBGQXZGXOSIN-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.39
Rot. Bonds3

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

2-(1-ethyl-4-methylpyrazol-5-yl)-2,2-difluoroacetic acid (PubChem CID 115023238) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-(1-ethyl-4-methylpyrazol-5-yl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(1-ethyl-4-methylpyrazol-5-yl)-2,2-difluoroacetic acid
PubChem CID115023238
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name2-(1-ethyl-4-methylpyrazol-5-yl)-2,2-difluoroacetic acid
SMILESCCn1ncc(C)c1C(F)(F)C(=O)O
InChIInChI=1S/C8H10F2N2O2/c1-3-12-6(5(2)4-11-12)8(9,10)7(13)14/h4H,3H2,1-2H3,(H,13,14)
InChIKeyWCLBGQXZGXOSIN-UHFFFAOYSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)propanoic acid
CID 6485397
2-(1,4-dimethyl-1H-pyrazol-3-yl)acetic acid
CID 67528971
(1-methyl-1H-pyrazol-3-yl)acetic acid
CID 13374526
2-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]acetic acid
CID 50896678
2-(1-Isopropyl-1H-pyrazol-5-yl)acetic acid
CID 50896683
2-(1-methyl-1H-pyrazol-5-yl)acetic acid
CID 50896807
2-(1,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 59229531
1H-Pyrazole-3-acetic acid, 1-(difluoromethyl)-
CID 66509397
3-(1,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19616562
3-(1,3-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19621371
2-(1-ethyl-1H-pyrazol-3-yl)acetic acid
CID 25248194
2-(4-bromo-1-(propan-2-yl)-1H-pyrazol-5-yl)acetic acid
CID 60136564

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-methylpyrazol-5-yl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(1-ethyl-4-methylpyrazol-5-yl)-2,2-difluoroacetic acid (CID 115023238) is 2-(1-ethyl-4-methylpyrazol-5-yl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(1-ethyl-4-methylpyrazol-5-yl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(1-ethyl-4-methylpyrazol-5-yl)-2,2-difluoroacetic acid is CCn1ncc(C)c1C(F)(F)C(=O)O.
What is the InChIKey of 2-(1-ethyl-4-methylpyrazol-5-yl)-2,2-difluoroacetic acid?
The InChIKey is WCLBGQXZGXOSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-3-12-6(5(2)4-11-12)8(9,10)7(13)14/h4H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-(1-ethyl-4-methylpyrazol-5-yl)-2,2-difluoroacetic acid?
2-(1-ethyl-4-methylpyrazol-5-yl)-2,2-difluoroacetic acid has a molecular weight of 204.18 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-methylpyrazol-5-yl)-2,2-difluoroacetic acid is sourced from PubChem (CID 115023238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).