methyl 1-(2-fluoroethyl)-3-methoxypyrazole-4-carboxylate

C8H11FN2O3 — CID 135349361

IUPACmethyl 1-(2-fluoroethyl)-3-methoxypyrazole-4-carboxylate
SMILESCOC(=O)c1cn(CCF)nc1OC
InChIInChI=1S/C8H11FN2O3/c1-13-7-6(8(12)14-2)5-11(10-7)4-3-9/h5H,3-4H2,1-2H3
InChIKeyVMHRXGNSYKRBAM-UHFFFAOYSA-N
MW202.19 g/mol
LogP0.65
Rot. Bonds4

About methyl 1-(2-fluoroethyl)-3-methoxypyrazole-4-carboxylate

methyl 1-(2-fluoroethyl)-3-methoxypyrazole-4-carboxylate (PubChem CID 135349361) has the molecular formula C8H11FN2O3 and a molecular weight of 202.19 g/mol. Its IUPAC name is methyl 1-(2-fluoroethyl)-3-methoxypyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluoroethyl)-3-methoxypyrazole-4-carboxylate
PubChem CID135349361
Molecular FormulaC8H11FN2O3
Molecular Weight202.19 g/mol
Exact Mass202.08
IUPAC Namemethyl 1-(2-fluoroethyl)-3-methoxypyrazole-4-carboxylate
SMILESCOC(=O)c1cn(CCF)nc1OC
InChIInChI=1S/C8H11FN2O3/c1-13-7-6(8(12)14-2)5-11(10-7)4-3-9/h5H,3-4H2,1-2H3
InChIKeyVMHRXGNSYKRBAM-UHFFFAOYSA-N
XLogP0.65
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(fluoromethyl)-3-methoxypyrazole-4-carboxylate
CID 150095703
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide
CID 132586573
3-amino-1-(3-methoxy-1-methylpyrazol-4-yl)propan-1-one
CID 82601683
4-amino-1-(2-fluoroethyl)pyrazole-3-carboxylic acid
CID 97182097
2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid
CID 84660521
3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide
CID 146680636
methyl 6-fluoro-2-methylindazole-4-carboxylate
CID 121232242
2-[4-methoxycarbonyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 121213295
methyl 2,3,6-trimethoxypyridine-4-carboxylate
CID 130406819
3-methoxy-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 16809642
methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate
CID 107344620

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-fluoroethyl)-3-methoxypyrazole-4-carboxylate?
The IUPAC name of methyl 1-(2-fluoroethyl)-3-methoxypyrazole-4-carboxylate (CID 135349361) is methyl 1-(2-fluoroethyl)-3-methoxypyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-(2-fluoroethyl)-3-methoxypyrazole-4-carboxylate?
The canonical SMILES for methyl 1-(2-fluoroethyl)-3-methoxypyrazole-4-carboxylate is COC(=O)c1cn(CCF)nc1OC.
What is the InChIKey of methyl 1-(2-fluoroethyl)-3-methoxypyrazole-4-carboxylate?
The InChIKey is VMHRXGNSYKRBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3/c1-13-7-6(8(12)14-2)5-11(10-7)4-3-9/h5H,3-4H2,1-2H3.
What are the key properties of methyl 1-(2-fluoroethyl)-3-methoxypyrazole-4-carboxylate?
methyl 1-(2-fluoroethyl)-3-methoxypyrazole-4-carboxylate has a molecular weight of 202.19 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluoroethyl)-3-methoxypyrazole-4-carboxylate is sourced from PubChem (CID 135349361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).