4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

C25H25F4N7O2 — CID 162378242

IUPAC4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCOc1cc(C(F)(F)F)nn1-c1ccc(CN2C(=O)CCn3nc(-c4c(C)cnn4C(C)C)cc32)cc1F
InChIInChI=1S/C25H25F4N7O2/c1-14(2)35-24(15(3)12-30-35)18-10-21-33(22(37)7-8-34(21)31-18)13-16-5-6-19(17(26)9-16)36-23(38-4)11-20(32-36)25(27,28)29/h5-6,9-12,14H,7-8,13H2,1-4H3
InChIKeyAHKFECWPEPANCX-UHFFFAOYSA-N
MW531.51 g/mol
LogP4.93
Rot. Bonds6

About 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 162378242) has the molecular formula C25H25F4N7O2 and a molecular weight of 531.51 g/mol. Its IUPAC name is 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
PubChem CID162378242
Molecular FormulaC25H25F4N7O2
Molecular Weight531.51 g/mol
Exact Mass531.20
IUPAC Name4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCOc1cc(C(F)(F)F)nn1-c1ccc(CN2C(=O)CCn3nc(-c4c(C)cnn4C(C)C)cc32)cc1F
InChIInChI=1S/C25H25F4N7O2/c1-14(2)35-24(15(3)12-30-35)18-10-21-33(22(37)7-8-34(21)31-18)13-16-5-6-19(17(26)9-16)36-23(38-4)11-20(32-36)25(27,28)29/h5-6,9-12,14H,7-8,13H2,1-4H3
InChIKeyAHKFECWPEPANCX-UHFFFAOYSA-N
XLogP4.93
TPSA83.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.51
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-[[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159766926
1-Acetyl-3-[1-[1-[4-(difluoromethoxy)-2-methylphenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
CID 67311994
1-[1-[1-[2,4-Bis(trifluoromethyl)phenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one
CID 87351480
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5-methoxy-3-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine
CID 148197128
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(3-methoxy-5-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine
CID 150064789
5-[2-(2,5-Difluorophenyl)pyrrolidin-1-yl]-3-(5-methoxy-3-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine
CID 156198263
5-[2-(2,5-Difluorophenyl)pyrrolidin-1-yl]-3-(3-methoxy-5-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine
CID 156198269
2-(4-Chloro-1-propan-2-ylpyrazol-5-yl)-4-[1-[4-[5-(2,2-difluoroethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 162378221
2-(4-Chloro-1-propan-2-ylpyrazol-5-yl)-4-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378373
2-(4-Chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378496
2-(4-Chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378546
2-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 162378677

Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (CID 162378242) is 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is COc1cc(C(F)(F)F)nn1-c1ccc(CN2C(=O)CCn3nc(-c4c(C)cnn4C(C)C)cc32)cc1F.
What is the InChIKey of 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is AHKFECWPEPANCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F4N7O2/c1-14(2)35-24(15(3)12-30-35)18-10-21-33(22(37)7-8-34(21)31-18)13-16-5-6-19(17(26)9-16)36-23(38-4)11-20(32-36)25(27,28)29/h5-6,9-12,14H,7-8,13H2,1-4H3.
What are the key properties of 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 531.51 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 162378242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).