1-methyl-N-(2-phenylfuran-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C16H12F3N3O2 — CID 44551516

IUPAC1-methyl-N-(2-phenylfuran-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccoc2-c2ccccc2)c(C(F)(F)F)n1
InChIInChI=1S/C16H12F3N3O2/c1-22-9-11(14(21-22)16(17,18)19)15(23)20-12-7-8-24-13(12)10-5-3-2-4-6-10/h2-9H,1H3,(H,20,23)
InChIKeyCDYXSAHOVKXWCB-UHFFFAOYSA-N
MW335.28 g/mol
LogP3.95
Rot. Bonds3

About 1-methyl-N-(2-phenylfuran-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-(2-phenylfuran-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 44551516) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.28 g/mol. Its IUPAC name is 1-methyl-N-(2-phenylfuran-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-phenylfuran-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID44551516
Molecular FormulaC16H12F3N3O2
Molecular Weight335.28 g/mol
Exact Mass335.09
IUPAC Name1-methyl-N-(2-phenylfuran-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccoc2-c2ccccc2)c(C(F)(F)F)n1
InChIInChI=1S/C16H12F3N3O2/c1-22-9-11(14(21-22)16(17,18)19)15(23)20-12-7-8-24-13(12)10-5-3-2-4-6-10/h2-9H,1H3,(H,20,23)
InChIKeyCDYXSAHOVKXWCB-UHFFFAOYSA-N
XLogP3.95
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-phenylfuran-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(2-phenylfuran-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 44551516) is 1-methyl-N-(2-phenylfuran-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-phenylfuran-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2-phenylfuran-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccoc2-c2ccccc2)c(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-(2-phenylfuran-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is CDYXSAHOVKXWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-22-9-11(14(21-22)16(17,18)19)15(23)20-12-7-8-24-13(12)10-5-3-2-4-6-10/h2-9H,1H3,(H,20,23).
What are the key properties of 1-methyl-N-(2-phenylfuran-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-(2-phenylfuran-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 335.28 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-phenylfuran-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 44551516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).