2-(1-ethyl-4-methylpyrazol-5-yl)-2-fluoroacetic acid

C8H11FN2O2 — CID 115017041

IUPAC2-(1-ethyl-4-methylpyrazol-5-yl)-2-fluoroacetic acid
SMILESCCn1ncc(C)c1C(F)C(=O)O
InChIInChI=1S/C8H11FN2O2/c1-3-11-7(5(2)4-10-11)6(9)8(12)13/h4,6H,3H2,1-2H3,(H,12,13)
InChIKeyBXQIHDOAFJVXTE-UHFFFAOYSA-N
MW186.19 g/mol
LogP1.31
Rot. Bonds3

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

2-(1-ethyl-4-methylpyrazol-5-yl)-2-fluoroacetic acid (PubChem CID 115017041) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 2-(1-ethyl-4-methylpyrazol-5-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(1-ethyl-4-methylpyrazol-5-yl)-2-fluoroacetic acid
PubChem CID115017041
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name2-(1-ethyl-4-methylpyrazol-5-yl)-2-fluoroacetic acid
SMILESCCn1ncc(C)c1C(F)C(=O)O
InChIInChI=1S/C8H11FN2O2/c1-3-11-7(5(2)4-10-11)6(9)8(12)13/h4,6H,3H2,1-2H3,(H,12,13)
InChIKeyBXQIHDOAFJVXTE-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 51.31
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-(1,3-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 49879438
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
2-(4-bromo-1-methyl-1H-pyrazol-5-yl)acetic acid
CID 60136501
1H-Pyrazole-3-acetic acid, 1-(difluoromethyl)-
CID 66509397
2-(1-methyl-1H-pyrazol-3-yl)acetic acid hydrochloride
CID 71306210
3-(1,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19616562

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-methylpyrazol-5-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(1-ethyl-4-methylpyrazol-5-yl)-2-fluoroacetic acid (CID 115017041) is 2-(1-ethyl-4-methylpyrazol-5-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(1-ethyl-4-methylpyrazol-5-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(1-ethyl-4-methylpyrazol-5-yl)-2-fluoroacetic acid is CCn1ncc(C)c1C(F)C(=O)O.
What is the InChIKey of 2-(1-ethyl-4-methylpyrazol-5-yl)-2-fluoroacetic acid?
The InChIKey is BXQIHDOAFJVXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-3-11-7(5(2)4-10-11)6(9)8(12)13/h4,6H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-(1-ethyl-4-methylpyrazol-5-yl)-2-fluoroacetic acid?
2-(1-ethyl-4-methylpyrazol-5-yl)-2-fluoroacetic acid has a molecular weight of 186.19 g/mol, XLogP of 1.31, 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-fluoroacetic acid is sourced from PubChem (CID 115017041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).