2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid

C8H11FN2O2 — CID 84660521

IUPAC2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid
SMILESCc1nn(CCF)cc1CC(=O)O
InChIInChI=1S/C8H11FN2O2/c1-6-7(4-8(12)13)5-11(10-6)3-2-9/h5H,2-4H2,1H3,(H,12,13)
InChIKeyZEGROURWKKSLOZ-UHFFFAOYSA-N
MW186.19 g/mol
LogP0.79
Rot. Bonds4

About 2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid

2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid (PubChem CID 84660521) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid
PubChem CID84660521
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid
SMILESCc1nn(CCF)cc1CC(=O)O
InChIInChI=1S/C8H11FN2O2/c1-6-7(4-8(12)13)5-11(10-6)3-2-9/h5H,2-4H2,1H3,(H,12,13)
InChIKeyZEGROURWKKSLOZ-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(2-fluoroethyl)-3-methylpyrazole
CID 97182111
1-(2-fluoroethyl)-3-methylpyrazol-4-amine
CID 86207976
ethane;2-(4-ethyl-3-methylpyrazol-1-yl)ethanol
CID 169138415
4-amino-1-(2-fluoroethyl)pyrazole-3-carboxylic acid
CID 97182097
4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide
CID 132586573
1-(2-fluoroethyl)-3-iodo-4-methylpyrazole
CID 80696922
2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid
CID 112712810
methyl 1-(2-fluoroethyl)-3-methoxypyrazole-4-carboxylate
CID 135349361
3-[3-(difluoromethyl)-4-methylpyrazol-1-yl]propanoic acid
CID 122171540
4-(chloromethyl)-3-methyl-1-propylpyrazole
CID 17272171
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine
CID 122167162
N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine
CID 122168973

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid (CID 84660521) is 2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid is Cc1nn(CCF)cc1CC(=O)O.
What is the InChIKey of 2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid?
The InChIKey is ZEGROURWKKSLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-6-7(4-8(12)13)5-11(10-6)3-2-9/h5H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid?
2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid has a molecular weight of 186.19 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 84660521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).