5-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole

C19H20FN5 — CID 56703339

IUPAC5-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCCc1cnc(C)nc1N1Cc2cnn(Cc3ccc(F)cc3)c2C1
InChIInChI=1S/C19H20FN5/c1-3-15-8-21-13(2)23-19(15)24-11-16-9-22-25(18(16)12-24)10-14-4-6-17(20)7-5-14/h4-9H,3,10-12H2,1-2H3
InChIKeyMQJKDPGATSREIJ-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.25
Rot. Bonds4

About 5-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole

5-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 56703339) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name5-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID56703339
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name5-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCCc1cnc(C)nc1N1Cc2cnn(Cc3ccc(F)cc3)c2C1
InChIInChI=1S/C19H20FN5/c1-3-15-8-21-13(2)23-19(15)24-11-16-9-22-25(18(16)12-24)10-14-4-6-17(20)7-5-14/h4-9H,3,10-12H2,1-2H3
InChIKeyMQJKDPGATSREIJ-UHFFFAOYSA-N
XLogP3.25
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-chloropyrimidin-2-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 56706594
4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 56705580
1-(5-ethyl-2-methylpyrimidin-4-yl)-4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepan-5-one
CID 56871154
2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]quinoline-4-carboxylic acid
CID 56745510
(2S)-1-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-phenylbutan-1-one
CID 95198038
N-[3-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl]phenyl]acetamide
CID 56738858
[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propan-2-yloxyphenyl)methanone
CID 56759466
1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one
CID 65356803
(3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
CID 56746814
1-[(4-fluorophenyl)methyl]-N-(1-propan-2-yltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 74249707
5-ethyl-2-[(4-fluorophenyl)methyl]-4H-pyrazol-3-one
CID 55027833
(3R)-4-benzyl-3-ethyl-1-(5-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-5-one
CID 95524879

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 5-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 56703339) is 5-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 5-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 5-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole is CCc1cnc(C)nc1N1Cc2cnn(Cc3ccc(F)cc3)c2C1.
What is the InChIKey of 5-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is MQJKDPGATSREIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c1-3-15-8-21-13(2)23-19(15)24-11-16-9-22-25(18(16)12-24)10-14-4-6-17(20)7-5-14/h4-9H,3,10-12H2,1-2H3.
What are the key properties of 5-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole?
5-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 337.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 56703339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).