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

C22H20FN3O2S — CID 71804198

IUPAC3-(4-fluorophenyl)-N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N(CCc1cccs1)Cc1ccoc1
InChIInChI=1S/C22H20FN3O2S/c1-25-21(13-20(24-25)17-4-6-18(23)7-5-17)22(27)26(14-16-9-11-28-15-16)10-8-19-3-2-12-29-19/h2-7,9,11-13,15H,8,10,14H2,1H3
InChIKeyWZADPQAPMPLVTD-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.77
Rot. Bonds7

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

3-(4-fluorophenyl)-N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-5-carboxamide (PubChem CID 71804198) has the molecular formula C22H20FN3O2S and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-5-carboxamide
PubChem CID71804198
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC Name3-(4-fluorophenyl)-N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N(CCc1cccs1)Cc1ccoc1
InChIInChI=1S/C22H20FN3O2S/c1-25-21(13-20(24-25)17-4-6-18(23)7-5-17)22(27)26(14-16-9-11-28-15-16)10-8-19-3-2-12-29-19/h2-7,9,11-13,15H,8,10,14H2,1H3
InChIKeyWZADPQAPMPLVTD-UHFFFAOYSA-N
XLogP4.77
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.77
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-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-5-carboxamide (CID 71804198) is 3-(4-fluorophenyl)-N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)N(CCc1cccs1)Cc1ccoc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-5-carboxamide?
The InChIKey is WZADPQAPMPLVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2S/c1-25-21(13-20(24-25)17-4-6-18(23)7-5-17)22(27)26(14-16-9-11-28-15-16)10-8-19-3-2-12-29-19/h2-7,9,11-13,15H,8,10,14H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-(furan-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-5-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.77, 7 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-3-ylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 71804198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).