1-(azetidin-3-yl)-4-(2-methoxy-3,6-dimethylphenyl)pyrazole;ethane

C17H25N3O — CID 167486099

IUPAC1-(azetidin-3-yl)-4-(2-methoxy-3,6-dimethylphenyl)pyrazole;ethane
SMILESCC.COc1c(C)ccc(C)c1-c1cnn(C2CNC2)c1
InChIInChI=1S/C15H19N3O.C2H6/c1-10-4-5-11(2)15(19-3)14(10)12-6-17-18(9-12)13-7-16-8-13;1-2/h4-6,9,13,16H,7-8H2,1-3H3;1-2H3
InChIKeyOYYQHSBAYOEFFB-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.35
Rot. Bonds3

About 1-(azetidin-3-yl)-4-(2-methoxy-3,6-dimethylphenyl)pyrazole;ethane

1-(azetidin-3-yl)-4-(2-methoxy-3,6-dimethylphenyl)pyrazole;ethane (PubChem CID 167486099) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(2-methoxy-3,6-dimethylphenyl)pyrazole;ethane.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(2-methoxy-3,6-dimethylphenyl)pyrazole;ethane
PubChem CID167486099
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(azetidin-3-yl)-4-(2-methoxy-3,6-dimethylphenyl)pyrazole;ethane
SMILESCC.COc1c(C)ccc(C)c1-c1cnn(C2CNC2)c1
InChIInChI=1S/C15H19N3O.C2H6/c1-10-4-5-11(2)15(19-3)14(10)12-6-17-18(9-12)13-7-16-8-13;1-2/h4-6,9,13,16H,7-8H2,1-3H3;1-2H3
InChIKeyOYYQHSBAYOEFFB-UHFFFAOYSA-N
XLogP3.35
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azetidin-3-yl)-4-(2-methoxy-3-methylphenyl)pyrazole;ethane;molecular hydrogen
CID 167485845
tert-butyl 3-[4-(2-methoxy-3,6-dimethylphenyl)pyrazol-1-yl]azetidine-1-carboxylate
CID 167486323
1-(azetidin-3-yl)-3,4-dimethylpyrazole
CID 168889402
N-[(1E,3E)-1,4-diamino-3-[3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methoxyanilino]-5-(methylamino)-5-oxopenta-1,3-dienyl]cyclopropanecarboxamide
CID 167486101
2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]aniline
CID 170965371
5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;ethane
CID 143190162
3-[3-[4-(5-methoxy-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propan-1-amine
CID 170778324
6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(3,5-difluorophenoxy)-1,2-dimethyl-3,4-dihydro-2H-quinoline
CID 123893801
1-(azetidin-3-yl)-4-iodopyrazole;tert-butyl formate
CID 174569695
1-(azetidin-3-yl)-4-bromopyrazole;tert-butyl formate
CID 174765943
2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione
CID 103430966
3-(1-cyclopropylpyrazol-4-yl)-5-methoxyaniline
CID 171512227

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(2-methoxy-3,6-dimethylphenyl)pyrazole;ethane?
The IUPAC name of 1-(azetidin-3-yl)-4-(2-methoxy-3,6-dimethylphenyl)pyrazole;ethane (CID 167486099) is 1-(azetidin-3-yl)-4-(2-methoxy-3,6-dimethylphenyl)pyrazole;ethane.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(2-methoxy-3,6-dimethylphenyl)pyrazole;ethane?
The canonical SMILES for 1-(azetidin-3-yl)-4-(2-methoxy-3,6-dimethylphenyl)pyrazole;ethane is CC.COc1c(C)ccc(C)c1-c1cnn(C2CNC2)c1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(2-methoxy-3,6-dimethylphenyl)pyrazole;ethane?
The InChIKey is OYYQHSBAYOEFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.C2H6/c1-10-4-5-11(2)15(19-3)14(10)12-6-17-18(9-12)13-7-16-8-13;1-2/h4-6,9,13,16H,7-8H2,1-3H3;1-2H3.
What are the key properties of 1-(azetidin-3-yl)-4-(2-methoxy-3,6-dimethylphenyl)pyrazole;ethane?
1-(azetidin-3-yl)-4-(2-methoxy-3,6-dimethylphenyl)pyrazole;ethane has a molecular weight of 287.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-(2-methoxy-3,6-dimethylphenyl)pyrazole;ethane is sourced from PubChem (CID 167486099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).