6-(furan-2-yl)-3-(hydroxymethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-4,7-dihydropyrazolo[5,4-d]pyrimidin-4-ol

C19H17F3N4O3 — CID 162597693

IUPAC6-(furan-2-yl)-3-(hydroxymethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-4,7-dihydropyrazolo[5,4-d]pyrimidin-4-ol
SMILESCC(c1ccc(C(F)(F)F)cc1)n1nc(CO)c2c1NC(c1ccco1)=NC2O
InChIInChI=1S/C19H17F3N4O3/c1-10(11-4-6-12(7-5-11)19(20,21)22)26-17-15(13(9-27)25-26)18(28)24-16(23-17)14-3-2-8-29-14/h2-8,10,18,27-28H,9H2,1H3,(H,23,24)
InChIKeyVLHLKZROSUIFBJ-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.46
Rot. Bonds4

About 6-(furan-2-yl)-3-(hydroxymethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-4,7-dihydropyrazolo[5,4-d]pyrimidin-4-ol

6-(furan-2-yl)-3-(hydroxymethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-4,7-dihydropyrazolo[5,4-d]pyrimidin-4-ol (PubChem CID 162597693) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-(hydroxymethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-4,7-dihydropyrazolo[5,4-d]pyrimidin-4-ol.

Molecular Properties

Compound Name6-(furan-2-yl)-3-(hydroxymethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-4,7-dihydropyrazolo[5,4-d]pyrimidin-4-ol
PubChem CID162597693
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC Name6-(furan-2-yl)-3-(hydroxymethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-4,7-dihydropyrazolo[5,4-d]pyrimidin-4-ol
SMILESCC(c1ccc(C(F)(F)F)cc1)n1nc(CO)c2c1NC(c1ccco1)=NC2O
InChIInChI=1S/C19H17F3N4O3/c1-10(11-4-6-12(7-5-11)19(20,21)22)26-17-15(13(9-27)25-26)18(28)24-16(23-17)14-3-2-8-29-14/h2-8,10,18,27-28H,9H2,1H3,(H,23,24)
InChIKeyVLHLKZROSUIFBJ-UHFFFAOYSA-N
XLogP3.46
TPSA95.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]furan-2-carboxamide
CID 2812003
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
N-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]furan-2-carboxamide
CID 2809607
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 651281
3-Chloro-N-[(furan-2-YL)methyl]-5-(4-methylphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidine-2-carboxamide
CID 3133988
2-[5-[(5-Ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
CID 71969720
2-[5-[(4-Fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
CID 75388911
2-[5-[(2,5-Dimethylfuran-3-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
CID 75438030
(5R,7S)-5-(furan-2-yl)-N-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135780904
(5R,7R)-5-(furan-2-yl)-N-[3-[(1R)-1-hydroxyethyl]phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 136128990

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-(hydroxymethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-4,7-dihydropyrazolo[5,4-d]pyrimidin-4-ol?
The IUPAC name of 6-(furan-2-yl)-3-(hydroxymethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-4,7-dihydropyrazolo[5,4-d]pyrimidin-4-ol (CID 162597693) is 6-(furan-2-yl)-3-(hydroxymethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-4,7-dihydropyrazolo[5,4-d]pyrimidin-4-ol.
What is the SMILES notation for 6-(furan-2-yl)-3-(hydroxymethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-4,7-dihydropyrazolo[5,4-d]pyrimidin-4-ol?
The canonical SMILES for 6-(furan-2-yl)-3-(hydroxymethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-4,7-dihydropyrazolo[5,4-d]pyrimidin-4-ol is CC(c1ccc(C(F)(F)F)cc1)n1nc(CO)c2c1NC(c1ccco1)=NC2O.
What is the InChIKey of 6-(furan-2-yl)-3-(hydroxymethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-4,7-dihydropyrazolo[5,4-d]pyrimidin-4-ol?
The InChIKey is VLHLKZROSUIFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c1-10(11-4-6-12(7-5-11)19(20,21)22)26-17-15(13(9-27)25-26)18(28)24-16(23-17)14-3-2-8-29-14/h2-8,10,18,27-28H,9H2,1H3,(H,23,24).
What are the key properties of 6-(furan-2-yl)-3-(hydroxymethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-4,7-dihydropyrazolo[5,4-d]pyrimidin-4-ol?
6-(furan-2-yl)-3-(hydroxymethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-4,7-dihydropyrazolo[5,4-d]pyrimidin-4-ol has a molecular weight of 406.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-(hydroxymethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-4,7-dihydropyrazolo[5,4-d]pyrimidin-4-ol is sourced from PubChem (CID 162597693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).