[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone

C17H16FN5O2 — CID 74250471

IUPAC[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
SMILESO=C(c1cc(-c2ccccc2F)n[nH]1)N1Cc2cnn(CCO)c2C1
InChIInChI=1S/C17H16FN5O2/c18-13-4-2-1-3-12(13)14-7-15(21-20-14)17(25)22-9-11-8-19-23(5-6-24)16(11)10-22/h1-4,7-8,24H,5-6,9-10H2,(H,20,21)
InChIKeyHDIJHXHPFONKJA-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.56
Rot. Bonds4

About [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone

[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone (PubChem CID 74250471) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
PubChem CID74250471
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
SMILESO=C(c1cc(-c2ccccc2F)n[nH]1)N1Cc2cnn(CCO)c2C1
InChIInChI=1S/C17H16FN5O2/c18-13-4-2-1-3-12(13)14-7-15(21-20-14)17(25)22-9-11-8-19-23(5-6-24)16(11)10-22/h1-4,7-8,24H,5-6,9-10H2,(H,20,21)
InChIKeyHDIJHXHPFONKJA-UHFFFAOYSA-N
XLogP1.56
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-3-phenylpropan-1-one
CID 99930935
3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 175702087
2-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-1-[1-(2-methoxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone
CID 161479984
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 70769158
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 78794978
N-[(3S,4R)-1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 70756793
2-(2-cyclopropylbenzimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone
CID 74231557
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 154841705
(3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
CID 56746814
[(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 124974682
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70755834
(4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
CID 166320882

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The IUPAC name of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone (CID 74250471) is [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone.
What is the SMILES notation for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The canonical SMILES for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone is O=C(c1cc(-c2ccccc2F)n[nH]1)N1Cc2cnn(CCO)c2C1.
What is the InChIKey of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The InChIKey is HDIJHXHPFONKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c18-13-4-2-1-3-12(13)14-7-15(21-20-14)17(25)22-9-11-8-19-23(5-6-24)16(11)10-22/h1-4,7-8,24H,5-6,9-10H2,(H,20,21).
What are the key properties of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone has a molecular weight of 341.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone is sourced from PubChem (CID 74250471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).