methyl 1-(fluoromethyl)-3-methoxypyrazole-4-carboxylate

C7H9FN2O3 — CID 150095703

IUPACmethyl 1-(fluoromethyl)-3-methoxypyrazole-4-carboxylate
SMILESCOC(=O)c1cn(CF)nc1OC
InChIInChI=1S/C7H9FN2O3/c1-12-6-5(7(11)13-2)3-10(4-8)9-6/h3H,4H2,1-2H3
InChIKeyDUEFSTMQXWHAJF-UHFFFAOYSA-N
MW188.16 g/mol
LogP0.61
Rot. Bonds3

About methyl 1-(fluoromethyl)-3-methoxypyrazole-4-carboxylate

methyl 1-(fluoromethyl)-3-methoxypyrazole-4-carboxylate (PubChem CID 150095703) has the molecular formula C7H9FN2O3 and a molecular weight of 188.16 g/mol. Its IUPAC name is methyl 1-(fluoromethyl)-3-methoxypyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(fluoromethyl)-3-methoxypyrazole-4-carboxylate
PubChem CID150095703
Molecular FormulaC7H9FN2O3
Molecular Weight188.16 g/mol
Exact Mass188.06
IUPAC Namemethyl 1-(fluoromethyl)-3-methoxypyrazole-4-carboxylate
SMILESCOC(=O)c1cn(CF)nc1OC
InChIInChI=1S/C7H9FN2O3/c1-12-6-5(7(11)13-2)3-10(4-8)9-6/h3H,4H2,1-2H3
InChIKeyDUEFSTMQXWHAJF-UHFFFAOYSA-N
XLogP0.61
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-fluoroethyl)-3-methoxypyrazole-4-carboxylate
CID 135349361
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
2-[4-methoxycarbonyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 121213295
trimethyl pyrrole-1,3,4-tricarboxylate
CID 91734196
methyl 2,3,6-trimethoxypyridine-4-carboxylate
CID 130406819
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
methyl 1-(2,2-difluoroethyl)-3-nitropyrazole-4-carboxylate
CID 132586331
methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 66778583
3-methoxy-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 16809642
ethyl 3-methoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylate
CID 66777939
3-amino-1-(3-methoxy-1-methylpyrazol-4-yl)propan-1-one
CID 82601683
methyl 2-methoxy-5-methylpyridine-3-carboxylate
CID 22678367

Frequently Asked Questions

What is the IUPAC name of methyl 1-(fluoromethyl)-3-methoxypyrazole-4-carboxylate?
The IUPAC name of methyl 1-(fluoromethyl)-3-methoxypyrazole-4-carboxylate (CID 150095703) is methyl 1-(fluoromethyl)-3-methoxypyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-(fluoromethyl)-3-methoxypyrazole-4-carboxylate?
The canonical SMILES for methyl 1-(fluoromethyl)-3-methoxypyrazole-4-carboxylate is COC(=O)c1cn(CF)nc1OC.
What is the InChIKey of methyl 1-(fluoromethyl)-3-methoxypyrazole-4-carboxylate?
The InChIKey is DUEFSTMQXWHAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O3/c1-12-6-5(7(11)13-2)3-10(4-8)9-6/h3H,4H2,1-2H3.
What are the key properties of methyl 1-(fluoromethyl)-3-methoxypyrazole-4-carboxylate?
methyl 1-(fluoromethyl)-3-methoxypyrazole-4-carboxylate has a molecular weight of 188.16 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(fluoromethyl)-3-methoxypyrazole-4-carboxylate is sourced from PubChem (CID 150095703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).