2-(4-ethylphenyl)-4-(furan-2-ylmethyl)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H21F3N4O2 — CID 140633844

IUPAC2-(4-ethylphenyl)-4-(furan-2-ylmethyl)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ccc(-c2nn3c(c2C(N)=O)N(Cc2ccco2)CCC3C(F)(F)F)cc1
InChIInChI=1S/C21H21F3N4O2/c1-2-13-5-7-14(8-6-13)18-17(19(25)29)20-27(12-15-4-3-11-30-15)10-9-16(21(22,23)24)28(20)26-18/h3-8,11,16H,2,9-10,12H2,1H3,(H2,25,29)
InChIKeyLLQMZHDUSNBBSV-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.32
Rot. Bonds5

About 2-(4-ethylphenyl)-4-(furan-2-ylmethyl)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-(4-ethylphenyl)-4-(furan-2-ylmethyl)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140633844) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-(furan-2-ylmethyl)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-(furan-2-ylmethyl)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140633844
Molecular FormulaC21H21F3N4O2
Molecular Weight418.42 g/mol
Exact Mass418.16
IUPAC Name2-(4-ethylphenyl)-4-(furan-2-ylmethyl)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ccc(-c2nn3c(c2C(N)=O)N(Cc2ccco2)CCC3C(F)(F)F)cc1
InChIInChI=1S/C21H21F3N4O2/c1-2-13-5-7-14(8-6-13)18-17(19(25)29)20-27(12-15-4-3-11-30-15)10-9-16(21(22,23)24)28(20)26-18/h3-8,11,16H,2,9-10,12H2,1H3,(H2,25,29)
InChIKeyLLQMZHDUSNBBSV-UHFFFAOYSA-N
XLogP4.32
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]furan-2-carboxamide
CID 2812003
5-(2-furyl)-N-methyl-N-[4-(1H-pyrazol-1-yl)benzyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3240488
N-(2-furylmethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 659919
N-{1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-2-furamide
CID 2809606
N-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 646398
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-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid methyl-phenyl-amide
CID 654439
N-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1113907
(5R,7S)-N-[(4-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136234641
N-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]furan-2-carboxamide
CID 2809607
5-(4-bromophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 649389
7-(difluoromethyl)-N-(2-furylmethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1259546

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-(furan-2-ylmethyl)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-4-(furan-2-ylmethyl)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140633844) is 2-(4-ethylphenyl)-4-(furan-2-ylmethyl)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-4-(furan-2-ylmethyl)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-4-(furan-2-ylmethyl)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1ccc(-c2nn3c(c2C(N)=O)N(Cc2ccco2)CCC3C(F)(F)F)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-(furan-2-ylmethyl)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LLQMZHDUSNBBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2/c1-2-13-5-7-14(8-6-13)18-17(19(25)29)20-27(12-15-4-3-11-30-15)10-9-16(21(22,23)24)28(20)26-18/h3-8,11,16H,2,9-10,12H2,1H3,(H2,25,29).
What are the key properties of 2-(4-ethylphenyl)-4-(furan-2-ylmethyl)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-(4-ethylphenyl)-4-(furan-2-ylmethyl)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 418.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-(furan-2-ylmethyl)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140633844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).