methyl 2-[(5-fluorothiophen-2-yl)methyl]pyrazole-3-carboxylate

C10H9FN2O2S — CID 163336285

IUPACmethyl 2-[(5-fluorothiophen-2-yl)methyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1ccnn1Cc1ccc(F)s1
InChIInChI=1S/C10H9FN2O2S/c1-15-10(14)8-4-5-12-13(8)6-7-2-3-9(11)16-7/h2-5H,6H2,1H3
InChIKeyQOJYDCUIAYGZNM-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.92
Rot. Bonds3

About methyl 2-[(5-fluorothiophen-2-yl)methyl]pyrazole-3-carboxylate

methyl 2-[(5-fluorothiophen-2-yl)methyl]pyrazole-3-carboxylate (PubChem CID 163336285) has the molecular formula C10H9FN2O2S and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2-[(5-fluorothiophen-2-yl)methyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5-fluorothiophen-2-yl)methyl]pyrazole-3-carboxylate
PubChem CID163336285
Molecular FormulaC10H9FN2O2S
Molecular Weight240.26 g/mol
Exact Mass240.04
IUPAC Namemethyl 2-[(5-fluorothiophen-2-yl)methyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1ccnn1Cc1ccc(F)s1
InChIInChI=1S/C10H9FN2O2S/c1-15-10(14)8-4-5-12-13(8)6-7-2-3-9(11)16-7/h2-5H,6H2,1H3
InChIKeyQOJYDCUIAYGZNM-UHFFFAOYSA-N
XLogP1.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-fluorothiophen-2-yl)methyl]pyrazole-3-carboxylate?
The IUPAC name of methyl 2-[(5-fluorothiophen-2-yl)methyl]pyrazole-3-carboxylate (CID 163336285) is methyl 2-[(5-fluorothiophen-2-yl)methyl]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 2-[(5-fluorothiophen-2-yl)methyl]pyrazole-3-carboxylate?
The canonical SMILES for methyl 2-[(5-fluorothiophen-2-yl)methyl]pyrazole-3-carboxylate is COC(=O)c1ccnn1Cc1ccc(F)s1.
What is the InChIKey of methyl 2-[(5-fluorothiophen-2-yl)methyl]pyrazole-3-carboxylate?
The InChIKey is QOJYDCUIAYGZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S/c1-15-10(14)8-4-5-12-13(8)6-7-2-3-9(11)16-7/h2-5H,6H2,1H3.
What are the key properties of methyl 2-[(5-fluorothiophen-2-yl)methyl]pyrazole-3-carboxylate?
methyl 2-[(5-fluorothiophen-2-yl)methyl]pyrazole-3-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-fluorothiophen-2-yl)methyl]pyrazole-3-carboxylate is sourced from PubChem (CID 163336285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).