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

C16H12F3N3O2 — CID 2812003

IUPACN-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide
SMILESCn1nc(C(F)(F)F)c(-c2ccccc2)c1NC(=O)c1ccco1
InChIInChI=1S/C16H12F3N3O2/c1-22-14(20-15(23)11-8-5-9-24-11)12(10-6-3-2-4-7-10)13(21-22)16(17,18)19/h2-9H,1H3,(H,20,23)
InChIKeyJOCIQUSZYSARMD-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.95
Rot. Bonds3

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

N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide (PubChem CID 2812003) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide
PubChem CID2812003
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC NameN-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide
SMILESCn1nc(C(F)(F)F)c(-c2ccccc2)c1NC(=O)c1ccco1
InChIInChI=1S/C16H12F3N3O2/c1-22-14(20-15(23)11-8-5-9-24-11)12(10-6-3-2-4-7-10)13(21-22)16(17,18)19/h2-9H,1H3,(H,20,23)
InChIKeyJOCIQUSZYSARMD-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-furamide
CID 2809605
N-{1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-2-furamide
CID 2809606
N-(1-((4-(trifluoromethyl)phenyl)methyl)-1H-indazol-3-yl)furan-2-carboxamide
CID 73331364
5-p-Tolyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (furan-2-ylmethyl)-amide
CID 649030
5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 1067709
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-furamide
CID 2809604
N-(2-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1-yl)benzylamino)-2-oxoethyl)furan-2-carboxamide
CID 49862398
N-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]furan-2-carboxamide
CID 2809607
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)furan-2-carboxamide
CID 135753132
3-tert-Butyl-5-{[(furan-2-ylmethyl)-amino]-methyl}-1-phenyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135450638
4-methoxy-N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 2811599

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide (CID 2812003) is N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide is Cn1nc(C(F)(F)F)c(-c2ccccc2)c1NC(=O)c1ccco1.
What is the InChIKey of N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide?
The InChIKey is JOCIQUSZYSARMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-22-14(20-15(23)11-8-5-9-24-11)12(10-6-3-2-4-7-10)13(21-22)16(17,18)19/h2-9H,1H3,(H,20,23).
What are the key properties of N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide?
N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide has a molecular weight of 335.29 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 2812003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).