3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methyl-6,7-dihydro-[1,4]dioxocino[2,3-d]pyrazole-5,8-dione

C19H17FN4O5 — CID 140810675

IUPAC3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methyl-6,7-dihydro-[1,4]dioxocino[2,3-d]pyrazole-5,8-dione
SMILESCOc1cc(F)ccc1-c1cnn(Cc2nn(C)c3c2OC(=O)CCC(=O)O3)c1
InChIInChI=1S/C19H17FN4O5/c1-23-19-18(28-16(25)5-6-17(26)29-19)14(22-23)10-24-9-11(8-21-24)13-4-3-12(20)7-15(13)27-2/h3-4,7-9H,5-6,10H2,1-2H3
InChIKeyMNMTVWRSJHEJIX-UHFFFAOYSA-N
MW400.37 g/mol
LogP2.08
Rot. Bonds4

About 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methyl-6,7-dihydro-[1,4]dioxocino[2,3-d]pyrazole-5,8-dione

3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methyl-6,7-dihydro-[1,4]dioxocino[2,3-d]pyrazole-5,8-dione (PubChem CID 140810675) has the molecular formula C19H17FN4O5 and a molecular weight of 400.37 g/mol. Its IUPAC name is 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methyl-6,7-dihydro-[1,4]dioxocino[2,3-d]pyrazole-5,8-dione.

Molecular Properties

Compound Name3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methyl-6,7-dihydro-[1,4]dioxocino[2,3-d]pyrazole-5,8-dione
PubChem CID140810675
Molecular FormulaC19H17FN4O5
Molecular Weight400.37 g/mol
Exact Mass400.12
IUPAC Name3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methyl-6,7-dihydro-[1,4]dioxocino[2,3-d]pyrazole-5,8-dione
SMILESCOc1cc(F)ccc1-c1cnn(Cc2nn(C)c3c2OC(=O)CCC(=O)O3)c1
InChIInChI=1S/C19H17FN4O5/c1-23-19-18(28-16(25)5-6-17(26)29-19)14(22-23)10-24-9-11(8-21-24)13-4-3-12(20)7-15(13)27-2/h3-4,7-9H,5-6,10H2,1-2H3
InChIKeyMNMTVWRSJHEJIX-UHFFFAOYSA-N
XLogP2.08
TPSA97.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methyl-6,7-dihydro-[1,4]dioxocino[2,3-d]pyrazole-5,8-dione with MolForge

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Related Compounds

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CID 171116020
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4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione
CID 63789775
6-(4-fluoro-2-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one
CID 153047463
5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 68642030
6-(2,4-difluorophenyl)-5-(1-ethylpyrazol-4-yl)-2,3-dihydroisoindol-1-one
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3-methoxy-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzonitrile
CID 172914763

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methyl-6,7-dihydro-[1,4]dioxocino[2,3-d]pyrazole-5,8-dione?
The IUPAC name of 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methyl-6,7-dihydro-[1,4]dioxocino[2,3-d]pyrazole-5,8-dione (CID 140810675) is 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methyl-6,7-dihydro-[1,4]dioxocino[2,3-d]pyrazole-5,8-dione.
What is the SMILES notation for 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methyl-6,7-dihydro-[1,4]dioxocino[2,3-d]pyrazole-5,8-dione?
The canonical SMILES for 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methyl-6,7-dihydro-[1,4]dioxocino[2,3-d]pyrazole-5,8-dione is COc1cc(F)ccc1-c1cnn(Cc2nn(C)c3c2OC(=O)CCC(=O)O3)c1.
What is the InChIKey of 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methyl-6,7-dihydro-[1,4]dioxocino[2,3-d]pyrazole-5,8-dione?
The InChIKey is MNMTVWRSJHEJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O5/c1-23-19-18(28-16(25)5-6-17(26)29-19)14(22-23)10-24-9-11(8-21-24)13-4-3-12(20)7-15(13)27-2/h3-4,7-9H,5-6,10H2,1-2H3.
What are the key properties of 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methyl-6,7-dihydro-[1,4]dioxocino[2,3-d]pyrazole-5,8-dione?
3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methyl-6,7-dihydro-[1,4]dioxocino[2,3-d]pyrazole-5,8-dione has a molecular weight of 400.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methyl-6,7-dihydro-[1,4]dioxocino[2,3-d]pyrazole-5,8-dione is sourced from PubChem (CID 140810675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).