1,5-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrazole-3-carboxamide

C13H14F3N3O2 — CID 2738491

IUPAC1,5-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrazole-3-carboxamide
SMILESCc1cc(CNC(=O)c2cc(C)n(C)n2)c(C(F)(F)F)o1
InChIInChI=1S/C13H14F3N3O2/c1-7-4-10(18-19(7)3)12(20)17-6-9-5-8(2)21-11(9)13(14,15)16/h4-5H,6H2,1-3H3,(H,17,20)
InChIKeyFVPAFQWDLDHDOV-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.58
Rot. Bonds3

About 1,5-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrazole-3-carboxamide

1,5-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrazole-3-carboxamide (PubChem CID 2738491) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 1,5-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrazole-3-carboxamide
PubChem CID2738491
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name1,5-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrazole-3-carboxamide
SMILESCc1cc(CNC(=O)c2cc(C)n(C)n2)c(C(F)(F)F)o1
InChIInChI=1S/C13H14F3N3O2/c1-7-4-10(18-19(7)3)12(20)17-6-9-5-8(2)21-11(9)13(14,15)16/h4-5H,6H2,1-3H3,(H,17,20)
InChIKeyFVPAFQWDLDHDOV-UHFFFAOYSA-N
XLogP2.58
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrazole-3-carboxamide (CID 2738491) is 1,5-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrazole-3-carboxamide is Cc1cc(CNC(=O)c2cc(C)n(C)n2)c(C(F)(F)F)o1.
What is the InChIKey of 1,5-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is FVPAFQWDLDHDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-7-4-10(18-19(7)3)12(20)17-6-9-5-8(2)21-11(9)13(14,15)16/h4-5H,6H2,1-3H3,(H,17,20).
What are the key properties of 1,5-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 301.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 2738491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).