3-(4-fluorophenyl)-1-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]pyrazole-5-carboxamide

C20H16FN3O2S — CID 119101807

IUPAC3-(4-fluorophenyl)-1-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCc1ccc(-c2cccs2)o1
InChIInChI=1S/C20H16FN3O2S/c1-24-17(11-16(23-24)13-4-6-14(21)7-5-13)20(25)22-12-15-8-9-18(26-15)19-3-2-10-27-19/h2-11H,12H2,1H3,(H,22,25)
InChIKeyMBZTTYIYJJEYGC-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.48
Rot. Bonds5

About 3-(4-fluorophenyl)-1-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]pyrazole-5-carboxamide

3-(4-fluorophenyl)-1-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]pyrazole-5-carboxamide (PubChem CID 119101807) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]pyrazole-5-carboxamide
PubChem CID119101807
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name3-(4-fluorophenyl)-1-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCc1ccc(-c2cccs2)o1
InChIInChI=1S/C20H16FN3O2S/c1-24-17(11-16(23-24)13-4-6-14(21)7-5-13)20(25)22-12-15-8-9-18(26-15)19-3-2-10-27-19/h2-11H,12H2,1H3,(H,22,25)
InChIKeyMBZTTYIYJJEYGC-UHFFFAOYSA-N
XLogP4.48
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]pyrazole-5-carboxamide (CID 119101807) is 3-(4-fluorophenyl)-1-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]pyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCc1ccc(-c2cccs2)o1.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is MBZTTYIYJJEYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-24-17(11-16(23-24)13-4-6-14(21)7-5-13)20(25)22-12-15-8-9-18(26-15)19-3-2-10-27-19/h2-11H,12H2,1H3,(H,22,25).
What are the key properties of 3-(4-fluorophenyl)-1-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]pyrazole-5-carboxamide?
3-(4-fluorophenyl)-1-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 119101807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).