2-(1,3-dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-3-yl)methoxy]-3H-isoindol-1-one

C18H19N5O2 — CID 175802908

IUPAC2-(1,3-dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-3-yl)methoxy]-3H-isoindol-1-one
SMILESCc1nn(C)cc1N1Cc2cc(OCc3ccn(C)n3)ccc2C1=O
InChIInChI=1S/C18H19N5O2/c1-12-17(10-22(3)19-12)23-9-13-8-15(4-5-16(13)18(23)24)25-11-14-6-7-21(2)20-14/h4-8,10H,9,11H2,1-3H3
InChIKeyDVPIZVXBFKETQP-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.20
Rot. Bonds4

About 2-(1,3-dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-3-yl)methoxy]-3H-isoindol-1-one

2-(1,3-dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-3-yl)methoxy]-3H-isoindol-1-one (PubChem CID 175802908) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-3-yl)methoxy]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-3-yl)methoxy]-3H-isoindol-1-one
PubChem CID175802908
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-3-yl)methoxy]-3H-isoindol-1-one
SMILESCc1nn(C)cc1N1Cc2cc(OCc3ccn(C)n3)ccc2C1=O
InChIInChI=1S/C18H19N5O2/c1-12-17(10-22(3)19-12)23-9-13-8-15(4-5-16(13)18(23)24)25-11-14-6-7-21(2)20-14/h4-8,10H,9,11H2,1-3H3
InChIKeyDVPIZVXBFKETQP-UHFFFAOYSA-N
XLogP2.20
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-3-yl)methoxy]-3H-isoindol-1-one with MolForge

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Related Compounds

7-[(1-methylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 114090592
3-[(4-bromo-3-methylphenoxy)methyl]-1-methylpyrazole
CID 83133039
[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]-3-pyridinyl] sulfite
CID 165406481
5-[(6-fluoro-5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one
CID 165406376
1-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanone
CID 82842996
[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866670
1-[2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]piperazine
CID 82869734
2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid
CID 82866163
[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol
CID 82866640
5-[(4-fluoro-5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-methylidenepyridazin-3-yl)-3H-isoindol-1-one
CID 167650738
2-methyl-5-propoxy-3H-isoindol-1-one
CID 143666235
5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one
CID 165406387

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-3-yl)methoxy]-3H-isoindol-1-one?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-3-yl)methoxy]-3H-isoindol-1-one (CID 175802908) is 2-(1,3-dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-3-yl)methoxy]-3H-isoindol-1-one.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-3-yl)methoxy]-3H-isoindol-1-one?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-3-yl)methoxy]-3H-isoindol-1-one is Cc1nn(C)cc1N1Cc2cc(OCc3ccn(C)n3)ccc2C1=O.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-3-yl)methoxy]-3H-isoindol-1-one?
The InChIKey is DVPIZVXBFKETQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-17(10-22(3)19-12)23-9-13-8-15(4-5-16(13)18(23)24)25-11-14-6-7-21(2)20-14/h4-8,10H,9,11H2,1-3H3.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-3-yl)methoxy]-3H-isoindol-1-one?
2-(1,3-dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-3-yl)methoxy]-3H-isoindol-1-one has a molecular weight of 337.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-3-yl)methoxy]-3H-isoindol-1-one is sourced from PubChem (CID 175802908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).