3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide

C21H18FN3O2S — CID 71796650

IUPAC3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N(Cc1ccsc1)Cc1ccco1
InChIInChI=1S/C21H18FN3O2S/c1-24-20(11-19(23-24)16-4-6-17(22)7-5-16)21(26)25(12-15-8-10-28-14-15)13-18-3-2-9-27-18/h2-11,14H,12-13H2,1H3
InChIKeySQOGGOFDSBGHHD-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.72
Rot. Bonds6

About 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide (PubChem CID 71796650) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide
PubChem CID71796650
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC Name3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N(Cc1ccsc1)Cc1ccco1
InChIInChI=1S/C21H18FN3O2S/c1-24-20(11-19(23-24)16-4-6-17(22)7-5-16)21(26)25(12-15-8-10-28-14-15)13-18-3-2-9-27-18/h2-11,14H,12-13H2,1H3
InChIKeySQOGGOFDSBGHHD-UHFFFAOYSA-N
XLogP4.72
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide (CID 71796650) is 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)N(Cc1ccsc1)Cc1ccco1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is SQOGGOFDSBGHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-24-20(11-19(23-24)16-4-6-17(22)7-5-16)21(26)25(12-15-8-10-28-14-15)13-18-3-2-9-27-18/h2-11,14H,12-13H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 71796650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).