(2-ethyl-5-methylpyrazol-3-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone

C19H20FN5O — CID 56739406

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1
InChIInChI=1S/C19H20FN5O/c1-3-24-17(8-13(2)22-24)19(26)23-11-15-9-21-25(18(15)12-23)10-14-4-6-16(20)7-5-14/h4-9H,3,10-12H2,1-2H3
InChIKeyHKYNCVFJEURUSH-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.75
Rot. Bonds4

About (2-ethyl-5-methylpyrazol-3-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone

(2-ethyl-5-methylpyrazol-3-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone (PubChem CID 56739406) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
PubChem CID56739406
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1
InChIInChI=1S/C19H20FN5O/c1-3-24-17(8-13(2)22-24)19(26)23-11-15-9-21-25(18(15)12-23)10-14-4-6-16(20)7-5-14/h4-9H,3,10-12H2,1-2H3
InChIKeyHKYNCVFJEURUSH-UHFFFAOYSA-N
XLogP2.75
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 3299137
[4-(2-Fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6467697
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-3-pyrazolecarboxamide
CID 24817447
1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]indoline
CID 725789
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-1H-pyrazole-3-carboxamide
CID 4577554
1-(4-Fluorophenyl)-2-[4-(1-methyl-1H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811854
US10022354, Example 247
CID 121279744
US10022354, Example 246
CID 121279746
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 24791511
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-3-pyrazolecarboxamide
CID 24793944
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 24817326

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone (CID 56739406) is (2-ethyl-5-methylpyrazol-3-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone is CCn1nc(C)cc1C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The InChIKey is HKYNCVFJEURUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-3-24-17(8-13(2)22-24)19(26)23-11-15-9-21-25(18(15)12-23)10-14-4-6-16(20)7-5-14/h4-9H,3,10-12H2,1-2H3.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
(2-ethyl-5-methylpyrazol-3-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone has a molecular weight of 353.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone is sourced from PubChem (CID 56739406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).