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

C16H11ClF3N3O2 — CID 55520218

IUPAC5-chloro-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)o2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H11ClF3N3O2/c1-9-7-14(21-15(24)12-5-6-13(17)25-12)23(22-9)11-4-2-3-10(8-11)16(18,19)20/h2-8H,1H3,(H,21,24)
InChIKeyIDUOPFDQHXESDE-UHFFFAOYSA-N
MW369.73 g/mol
LogP4.70
Rot. Bonds3

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

5-chloro-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 55520218) has the molecular formula C16H11ClF3N3O2 and a molecular weight of 369.73 g/mol. Its IUPAC name is 5-chloro-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide
PubChem CID55520218
Molecular FormulaC16H11ClF3N3O2
Molecular Weight369.73 g/mol
Exact Mass369.05
IUPAC Name5-chloro-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)o2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H11ClF3N3O2/c1-9-7-14(21-15(24)12-5-6-13(17)25-12)23(22-9)11-4-2-3-10(8-11)16(18,19)20/h2-8H,1H3,(H,21,24)
InChIKeyIDUOPFDQHXESDE-UHFFFAOYSA-N
XLogP4.70
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]furan-2-carboxamide
CID 2812003
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
CID 4459760
N-(2-(3-chlorophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 5013253
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]furan-2-carboxamide
CID 2373973
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-(furan-2-yl)propanamide
CID 52555202
N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-methoxyacetamide
CID 132465026
N-[2-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide
CID 1509192
N-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide
CID 13938575
3-tert-butyl-1-(4-chlorophenyl)-5-[(furan-2-ylmethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135880353
1-(4-chlorophenyl)-5-[(furan-2-ylmethylamino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135880358
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylfuran-2-carboxamide
CID 1052047

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide (CID 55520218) is 5-chloro-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(Cl)o2)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 5-chloro-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is IDUOPFDQHXESDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O2/c1-9-7-14(21-15(24)12-5-6-13(17)25-12)23(22-9)11-4-2-3-10(8-11)16(18,19)20/h2-8H,1H3,(H,21,24).
What are the key properties of 5-chloro-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide?
5-chloro-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 369.73 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 55520218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).