4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine

C16H21N3O3 — CID 117488438

IUPAC4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine
SMILESCOc1c(OC2CCOCC2)cccc1-c1cnn(C)c1N
InChIInChI=1S/C16H21N3O3/c1-19-16(17)13(10-18-19)12-4-3-5-14(15(12)20-2)22-11-6-8-21-9-7-11/h3-5,10-11H,6-9,17H2,1-2H3
InChIKeyGAUNBXRHZFNTDL-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.24
Rot. Bonds4

About 4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine

4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117488438) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine
PubChem CID117488438
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine
SMILESCOc1c(OC2CCOCC2)cccc1-c1cnn(C)c1N
InChIInChI=1S/C16H21N3O3/c1-19-16(17)13(10-18-19)12-4-3-5-14(15(12)20-2)22-11-6-8-21-9-7-11/h3-5,10-11H,6-9,17H2,1-2H3
InChIKeyGAUNBXRHZFNTDL-UHFFFAOYSA-N
XLogP2.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117487266
4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide
CID 117486227
5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117442341
4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376784
[3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol
CID 117338191
1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine
CID 117470749
1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine
CID 117401972
4-(3-methoxy-2-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376786
1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine
CID 117360416
4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117492733
4-(1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
CID 117309116
2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid
CID 117451366

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine (CID 117488438) is 4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine is COc1c(OC2CCOCC2)cccc1-c1cnn(C)c1N.
What is the InChIKey of 4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is GAUNBXRHZFNTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-19-16(17)13(10-18-19)12-4-3-5-14(15(12)20-2)22-11-6-8-21-9-7-11/h3-5,10-11H,6-9,17H2,1-2H3.
What are the key properties of 4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine?
4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 303.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117488438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).