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

C15H19N3O2 — CID 62907421

IUPAC4-(4-methoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2c(N)n[nH]c2C2CCOCC2)cc1
InChIInChI=1S/C15H19N3O2/c1-19-12-4-2-10(3-5-12)13-14(17-18-15(13)16)11-6-8-20-9-7-11/h2-5,11H,6-9H2,1H3,(H3,16,17,18)
InChIKeyOMLMATJCDQGXAA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.56
Rot. Bonds3

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

4-(4-methoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine (PubChem CID 62907421) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine
PubChem CID62907421
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-(4-methoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2c(N)n[nH]c2C2CCOCC2)cc1
InChIInChI=1S/C15H19N3O2/c1-19-12-4-2-10(3-5-12)13-14(17-18-15(13)16)11-6-8-20-9-7-11/h2-5,11H,6-9H2,1H3,(H3,16,17,18)
InChIKeyOMLMATJCDQGXAA-UHFFFAOYSA-N
XLogP2.56
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(4-methoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine (CID 62907421) is 4-(4-methoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine is COc1ccc(-c2c(N)n[nH]c2C2CCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine?
The InChIKey is OMLMATJCDQGXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-12-4-2-10(3-5-12)13-14(17-18-15(13)16)11-6-8-20-9-7-11/h2-5,11H,6-9H2,1H3,(H3,16,17,18).
What are the key properties of 4-(4-methoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine?
4-(4-methoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine has a molecular weight of 273.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 62907421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).