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

C16H12F3N3O2 — CID 35534513

IUPACN-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C16H12F3N3O2/c1-10-9-14(16(17,18)19)21-22(10)12-6-4-11(5-7-12)20-15(23)13-3-2-8-24-13/h2-9H,1H3,(H,20,23)
InChIKeyAPFLKSWZDTZEOS-UHFFFAOYSA-N
MW335.29 g/mol
LogP4.04
Rot. Bonds3

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

N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide (PubChem CID 35534513) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide
PubChem CID35534513
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC NameN-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C16H12F3N3O2/c1-10-9-14(16(17,18)19)21-22(10)12-6-4-11(5-7-12)20-15(23)13-3-2-8-24-13/h2-9H,1H3,(H,20,23)
InChIKeyAPFLKSWZDTZEOS-UHFFFAOYSA-N
XLogP4.04
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
n-(3-(3,5-Dimethyl-1h-pyrazol-1-yl)propyl)furan-2-carboxamide
CID 19293679
N-(2-furylmethyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-furamide
CID 1091759
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 831746
N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 742286
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
Furan-2-carboxylic acid (2-phenyl-2H-benzotriazol-5-yl)-amide
CID 3126582
N-{1-[5-methyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]ethyl}-2-furamide
CID 16191279
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-2-carboxamide
CID 24793251
N-(2,4-difluorophenyl)-5-(3-methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 137636676
N-(2-fluorophenyl)-5-(furan-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 137656627
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2-furylmethyl)-2-furamide
CID 3238151

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide (CID 35534513) is N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide is Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide?
The InChIKey is APFLKSWZDTZEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-10-9-14(16(17,18)19)21-22(10)12-6-4-11(5-7-12)20-15(23)13-3-2-8-24-13/h2-9H,1H3,(H,20,23).
What are the key properties of N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide?
N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide has a molecular weight of 335.29 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 35534513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).