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

C18H16F3N3O2 — CID 78837968

IUPAC2,5-dimethyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(C)oc2C)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H16F3N3O2/c1-10-7-16(22-17(25)15-8-11(2)26-12(15)3)24(23-10)14-6-4-5-13(9-14)18(19,20)21/h4-9H,1-3H3,(H,22,25)
InChIKeyMRARNUVGGCUGLH-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.66
Rot. Bonds3

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

2,5-dimethyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-3-carboxamide (PubChem CID 78837968) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-3-carboxamide
PubChem CID78837968
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name2,5-dimethyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(C)oc2C)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H16F3N3O2/c1-10-7-16(22-17(25)15-8-11(2)26-12(15)3)24(23-10)14-6-4-5-13(9-14)18(19,20)21/h4-9H,1-3H3,(H,22,25)
InChIKeyMRARNUVGGCUGLH-UHFFFAOYSA-N
XLogP4.66
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-N-(1-((4-(trifluoromethyl)phenyl)methyl)-1H-indazol-3-yl)-3-furancarboxamide
CID 91844684
5-Amino-3-methyl-4-phenylpyrazolyl 2-methyl(3-furyl) ketone
CID 1263280
1-[2-[3,5-Bis(trifluoromethyl)phenyl]-5-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-3-yl]-3-(2-cyanophenyl)urea
CID 2742776
1-[2-[3,5-Bis(trifluoromethyl)phenyl]-5-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2742777
(E)-2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide
CID 1527403
2-cyano-3-(furan-2-yl)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)prop-2-enamide
CID 2421445
1-[3,5-Bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-amine
CID 2742754
N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742775
5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide
CID 2742779
N-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide
CID 2811734
2,5-dimethyl-N-[3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl]furan-3-carboxamide
CID 136036414
N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide
CID 118335371

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-3-carboxamide (CID 78837968) is 2,5-dimethyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-3-carboxamide is Cc1cc(NC(=O)c2cc(C)oc2C)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2,5-dimethyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-3-carboxamide?
The InChIKey is MRARNUVGGCUGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-10-7-16(22-17(25)15-8-11(2)26-12(15)3)24(23-10)14-6-4-5-13(9-14)18(19,20)21/h4-9H,1-3H3,(H,22,25).
What are the key properties of 2,5-dimethyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-3-carboxamide?
2,5-dimethyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-3-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 78837968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).