N-(furan-2-ylmethyl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide

C16H14F3N3O3 — CID 1091759

IUPACN-(furan-2-ylmethyl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)NCc2ccco2)o1
InChIInChI=1S/C16H14F3N3O3/c1-10-7-14(16(17,18)19)21-22(10)9-12-4-5-13(25-12)15(23)20-8-11-3-2-6-24-11/h2-7H,8-9H2,1H3,(H,20,23)
InChIKeyXUVBTWQQKNYIOG-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.37
Rot. Bonds5

About N-(furan-2-ylmethyl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide

N-(furan-2-ylmethyl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide (PubChem CID 1091759) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
PubChem CID1091759
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC NameN-(furan-2-ylmethyl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)NCc2ccco2)o1
InChIInChI=1S/C16H14F3N3O3/c1-10-7-14(16(17,18)19)21-22(10)9-12-4-5-13(25-12)15(23)20-8-11-3-2-6-24-11/h2-7H,8-9H2,1H3,(H,20,23)
InChIKeyXUVBTWQQKNYIOG-UHFFFAOYSA-N
XLogP3.37
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide (CID 1091759) is N-(furan-2-ylmethyl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide is Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)NCc2ccco2)o1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
The InChIKey is XUVBTWQQKNYIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c1-10-7-14(16(17,18)19)21-22(10)9-12-4-5-13(25-12)15(23)20-8-11-3-2-6-24-11/h2-7H,8-9H2,1H3,(H,20,23).
What are the key properties of N-(furan-2-ylmethyl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
N-(furan-2-ylmethyl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 1091759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).