4-ethoxy-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide

C17H16FN3O2S — CID 45283988

IUPAC4-ethoxy-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1
InChIInChI=1S/C17H16FN3O2S/c1-2-23-15-11-21(13-7-5-12(18)6-8-13)20-16(15)17(22)19-10-14-4-3-9-24-14/h3-9,11H,2,10H2,1H3,(H,19,22)
InChIKeyUMDQEMYYWXHTAJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.40
Rot. Bonds6

About 4-ethoxy-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide

4-ethoxy-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 45283988) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-ethoxy-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-ethoxy-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID45283988
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name4-ethoxy-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1
InChIInChI=1S/C17H16FN3O2S/c1-2-23-15-11-21(13-7-5-12(18)6-8-13)20-16(15)17(22)19-10-14-4-3-9-24-14/h3-9,11H,2,10H2,1H3,(H,19,22)
InChIKeyUMDQEMYYWXHTAJ-UHFFFAOYSA-N
XLogP3.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-ethoxy-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide (CID 45283988) is 4-ethoxy-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-ethoxy-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-ethoxy-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide is CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1.
What is the InChIKey of 4-ethoxy-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is UMDQEMYYWXHTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-2-23-15-11-21(13-7-5-12(18)6-8-13)20-16(15)17(22)19-10-14-4-3-9-24-14/h3-9,11H,2,10H2,1H3,(H,19,22).
What are the key properties of 4-ethoxy-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
4-ethoxy-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 45283988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).