4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-amine

C15H19N3O — CID 68668176

IUPAC4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-amine
SMILESCc1cccc(-c2cn(C3CCCCO3)nc2N)c1
InChIInChI=1S/C15H19N3O/c1-11-5-4-6-12(9-11)13-10-18(17-15(13)16)14-7-2-3-8-19-14/h4-6,9-10,14H,2-3,7-8H2,1H3,(H2,16,17)
InChIKeyYYNBZXHYKIGILG-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.14
Rot. Bonds2

About 4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-amine

4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-amine (PubChem CID 68668176) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-amine
PubChem CID68668176
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-amine
SMILESCc1cccc(-c2cn(C3CCCCO3)nc2N)c1
InChIInChI=1S/C15H19N3O/c1-11-5-4-6-12(9-11)13-10-18(17-15(13)16)14-7-2-3-8-19-14/h4-6,9-10,14H,2-3,7-8H2,1H3,(H2,16,17)
InChIKeyYYNBZXHYKIGILG-UHFFFAOYSA-N
XLogP3.14
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-amine?
The IUPAC name of 4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-amine (CID 68668176) is 4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-amine.
What is the SMILES notation for 4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-amine?
The canonical SMILES for 4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-amine is Cc1cccc(-c2cn(C3CCCCO3)nc2N)c1.
What is the InChIKey of 4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-amine?
The InChIKey is YYNBZXHYKIGILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-5-4-6-12(9-11)13-10-18(17-15(13)16)14-7-2-3-8-19-14/h4-6,9-10,14H,2-3,7-8H2,1H3,(H2,16,17).
What are the key properties of 4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-amine?
4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-amine has a molecular weight of 257.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-amine is sourced from PubChem (CID 68668176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).