N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-(trifluoromethyl)benzamide

C17H14F3N3O2 — CID 71797318

IUPACN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESCn1nc(CNC(=O)c2ccccc2C(F)(F)F)cc1-c1ccco1
InChIInChI=1S/C17H14F3N3O2/c1-23-14(15-7-4-8-25-15)9-11(22-23)10-21-16(24)12-5-2-3-6-13(12)17(18,19)20/h2-9H,10H2,1H3,(H,21,24)
InChIKeyDQUBFXFJQGFJEW-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.63
Rot. Bonds4

About N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-(trifluoromethyl)benzamide

N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 71797318) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID71797318
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC NameN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESCn1nc(CNC(=O)c2ccccc2C(F)(F)F)cc1-c1ccco1
InChIInChI=1S/C17H14F3N3O2/c1-23-14(15-7-4-8-25-15)9-11(22-23)10-21-16(24)12-5-2-3-6-13(12)17(18,19)20/h2-9H,10H2,1H3,(H,21,24)
InChIKeyDQUBFXFJQGFJEW-UHFFFAOYSA-N
XLogP3.63
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-(trifluoromethyl)benzamide (CID 71797318) is N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-(trifluoromethyl)benzamide is Cn1nc(CNC(=O)c2ccccc2C(F)(F)F)cc1-c1ccco1.
What is the InChIKey of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is DQUBFXFJQGFJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-23-14(15-7-4-8-25-15)9-11(22-23)10-21-16(24)12-5-2-3-6-13(12)17(18,19)20/h2-9H,10H2,1H3,(H,21,24).
What are the key properties of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-(trifluoromethyl)benzamide?
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 349.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 71797318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).