1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one

C19H20N4O3 — CID 138040986

IUPAC1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one
SMILESCn1ccnc(Oc2ccc(-c3cnn(C4CCCCO4)c3)cc2)c1=O
InChIInChI=1S/C19H20N4O3/c1-22-10-9-20-18(19(22)24)26-16-7-5-14(6-8-16)15-12-21-23(13-15)17-4-2-3-11-25-17/h5-10,12-13,17H,2-4,11H2,1H3
InChIKeyQRMCMKLWCALDTQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.14
Rot. Bonds4

About 1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one

1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one (PubChem CID 138040986) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one
PubChem CID138040986
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one
SMILESCn1ccnc(Oc2ccc(-c3cnn(C4CCCCO4)c3)cc2)c1=O
InChIInChI=1S/C19H20N4O3/c1-22-10-9-20-18(19(22)24)26-16-7-5-14(6-8-16)15-12-21-23(13-15)17-4-2-3-11-25-17/h5-10,12-13,17H,2-4,11H2,1H3
InChIKeyQRMCMKLWCALDTQ-UHFFFAOYSA-N
XLogP3.14
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-3-[4-[4-(oxan-2-ylmethoxy)phenyl]phenoxy]pyrazin-2-one
CID 138039169
5-[1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 171770243
N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine
CID 126430312
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846
3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine
CID 167978748
4-[1-(oxan-2-yl)pyrazol-4-yl]phthalaldehyde
CID 162696460
3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 142796783
N-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline
CID 156756104
4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
4-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-6-ol
CID 175708982
2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde
CID 176914480
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 169094884

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one (CID 138040986) is 1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one is Cn1ccnc(Oc2ccc(-c3cnn(C4CCCCO4)c3)cc2)c1=O.
What is the InChIKey of 1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one?
The InChIKey is QRMCMKLWCALDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-22-10-9-20-18(19(22)24)26-16-7-5-14(6-8-16)15-12-21-23(13-15)17-4-2-3-11-25-17/h5-10,12-13,17H,2-4,11H2,1H3.
What are the key properties of 1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one?
1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one has a molecular weight of 352.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one is sourced from PubChem (CID 138040986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).