4-(3-methoxyphenyl)-1-methyl-3-(oxan-4-yl)pyrazol-5-amine

C16H21N3O2 — CID 62906563

IUPAC4-(3-methoxyphenyl)-1-methyl-3-(oxan-4-yl)pyrazol-5-amine
SMILESCOc1cccc(-c2c(C3CCOCC3)nn(C)c2N)c1
InChIInChI=1S/C16H21N3O2/c1-19-16(17)14(12-4-3-5-13(10-12)20-2)15(18-19)11-6-8-21-9-7-11/h3-5,10-11H,6-9,17H2,1-2H3
InChIKeyRFZVGNPSTYRLCW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.57
Rot. Bonds3

About 4-(3-methoxyphenyl)-1-methyl-3-(oxan-4-yl)pyrazol-5-amine

4-(3-methoxyphenyl)-1-methyl-3-(oxan-4-yl)pyrazol-5-amine (PubChem CID 62906563) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1-methyl-3-(oxan-4-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1-methyl-3-(oxan-4-yl)pyrazol-5-amine
PubChem CID62906563
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-(3-methoxyphenyl)-1-methyl-3-(oxan-4-yl)pyrazol-5-amine
SMILESCOc1cccc(-c2c(C3CCOCC3)nn(C)c2N)c1
InChIInChI=1S/C16H21N3O2/c1-19-16(17)14(12-4-3-5-13(10-12)20-2)15(18-19)11-6-8-21-9-7-11/h3-5,10-11H,6-9,17H2,1-2H3
InChIKeyRFZVGNPSTYRLCW-UHFFFAOYSA-N
XLogP2.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclobutyl-4-(3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61263855
1-methyl-4-(4-methylphenyl)-3-(oxan-4-yl)pyrazol-5-amine
CID 62907594
1-methyl-4-(2-methylphenyl)-3-(oxan-4-yl)pyrazol-5-amine
CID 62905153
3-cyclobutyl-4-(4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 43158655
4-(3-methoxyphenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine
CID 61262748
3-cyclopropyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 80524510
4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
CID 66200693
4-(3-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
CID 81122516
4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119565
3-(3-methoxyphenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 146456991
5-(3-methoxyphenyl)-1,3-dimethylpyrazole
CID 57246578
3-cycloheptyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80521277

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1-methyl-3-(oxan-4-yl)pyrazol-5-amine?
The IUPAC name of 4-(3-methoxyphenyl)-1-methyl-3-(oxan-4-yl)pyrazol-5-amine (CID 62906563) is 4-(3-methoxyphenyl)-1-methyl-3-(oxan-4-yl)pyrazol-5-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-1-methyl-3-(oxan-4-yl)pyrazol-5-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-1-methyl-3-(oxan-4-yl)pyrazol-5-amine is COc1cccc(-c2c(C3CCOCC3)nn(C)c2N)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-1-methyl-3-(oxan-4-yl)pyrazol-5-amine?
The InChIKey is RFZVGNPSTYRLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19-16(17)14(12-4-3-5-13(10-12)20-2)15(18-19)11-6-8-21-9-7-11/h3-5,10-11H,6-9,17H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-1-methyl-3-(oxan-4-yl)pyrazol-5-amine?
4-(3-methoxyphenyl)-1-methyl-3-(oxan-4-yl)pyrazol-5-amine has a molecular weight of 287.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1-methyl-3-(oxan-4-yl)pyrazol-5-amine is sourced from PubChem (CID 62906563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).