N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide

C17H14F3N3O3 — CID 2809605

IUPACN-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide
SMILESCOc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(=O)c2ccco2)cc1
InChIInChI=1S/C17H14F3N3O3/c1-23-15(21-16(24)12-4-3-9-26-12)13(14(22-23)17(18,19)20)10-5-7-11(25-2)8-6-10/h3-9H,1-2H3,(H,21,24)
InChIKeyBQIBDTKCXONYKI-UHFFFAOYSA-N
MW365.31 g/mol
LogP3.96
Rot. Bonds4

About N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide

N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide (PubChem CID 2809605) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide
PubChem CID2809605
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC NameN-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide
SMILESCOc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(=O)c2ccco2)cc1
InChIInChI=1S/C17H14F3N3O3/c1-23-15(21-16(24)12-4-3-9-26-12)13(14(22-23)17(18,19)20)10-5-7-11(25-2)8-6-10/h3-9H,1-2H3,(H,21,24)
InChIKeyBQIBDTKCXONYKI-UHFFFAOYSA-N
XLogP3.96
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide (CID 2809605) is N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide is COc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide?
The InChIKey is BQIBDTKCXONYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c1-23-15(21-16(24)12-4-3-9-26-12)13(14(22-23)17(18,19)20)10-5-7-11(25-2)8-6-10/h3-9H,1-2H3,(H,21,24).
What are the key properties of N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide?
N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide has a molecular weight of 365.31 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 2809605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).