2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine

C20H22N4O2 — CID 45206673

IUPAC2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine
SMILESCOc1nccnc1-c1cccc(-c2ccn(CC3CCCCO3)n2)c1
InChIInChI=1S/C20H22N4O2/c1-25-20-19(21-9-10-22-20)16-6-4-5-15(13-16)18-8-11-24(23-18)14-17-7-2-3-12-26-17/h4-6,8-11,13,17H,2-3,7,12,14H2,1H3
InChIKeyUHMCCENUMJSOGY-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.58
Rot. Bonds5

About 2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine

2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine (PubChem CID 45206673) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine.

Molecular Properties

Compound Name2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine
PubChem CID45206673
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine
SMILESCOc1nccnc1-c1cccc(-c2ccn(CC3CCCCO3)n2)c1
InChIInChI=1S/C20H22N4O2/c1-25-20-19(21-9-10-22-20)16-6-4-5-15(13-16)18-8-11-24(23-18)14-17-7-2-3-12-26-17/h4-6,8-11,13,17H,2-3,7,12,14H2,1H3
InChIKeyUHMCCENUMJSOGY-UHFFFAOYSA-N
XLogP3.58
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 29107228
2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine
CID 29151786
N-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide
CID 125442918
4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
CID 125168426
2-[3-[1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]phenyl]quinoxaline
CID 45190541
N-[(2,3-dimethoxyphenyl)methyl]-4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
CID 26357610
5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole
CID 95138059
3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 129355197
4-methyl-5-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 26278609
4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine
CID 45193318
4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine
CID 11175564
4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 56860448

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine?
The IUPAC name of 2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine (CID 45206673) is 2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine.
What is the SMILES notation for 2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine?
The canonical SMILES for 2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine is COc1nccnc1-c1cccc(-c2ccn(CC3CCCCO3)n2)c1.
What is the InChIKey of 2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine?
The InChIKey is UHMCCENUMJSOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-25-20-19(21-9-10-22-20)16-6-4-5-15(13-16)18-8-11-24(23-18)14-17-7-2-3-12-26-17/h4-6,8-11,13,17H,2-3,7,12,14H2,1H3.
What are the key properties of 2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine?
2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine has a molecular weight of 350.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine is sourced from PubChem (CID 45206673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).