1-methyl-3-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrazol-4-amine

C16H23N3O — CID 66012353

IUPAC1-methyl-3-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrazol-4-amine
SMILESCC(C)c1cccc(Oc2c(N)c(C(C)C)nn2C)c1
InChIInChI=1S/C16H23N3O/c1-10(2)12-7-6-8-13(9-12)20-16-14(17)15(11(3)4)18-19(16)5/h6-11H,17H2,1-5H3
InChIKeyFKAJAWPODHGZAW-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.04
Rot. Bonds4

About 1-methyl-3-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrazol-4-amine

1-methyl-3-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrazol-4-amine (PubChem CID 66012353) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrazol-4-amine
PubChem CID66012353
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-methyl-3-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrazol-4-amine
SMILESCC(C)c1cccc(Oc2c(N)c(C(C)C)nn2C)c1
InChIInChI=1S/C16H23N3O/c1-10(2)12-7-6-8-13(9-12)20-16-14(17)15(11(3)4)18-19(16)5/h6-11H,17H2,1-5H3
InChIKeyFKAJAWPODHGZAW-UHFFFAOYSA-N
XLogP4.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrazol-4-amine?
The IUPAC name of 1-methyl-3-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrazol-4-amine (CID 66012353) is 1-methyl-3-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrazol-4-amine is CC(C)c1cccc(Oc2c(N)c(C(C)C)nn2C)c1.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrazol-4-amine?
The InChIKey is FKAJAWPODHGZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10(2)12-7-6-8-13(9-12)20-16-14(17)15(11(3)4)18-19(16)5/h6-11H,17H2,1-5H3.
What are the key properties of 1-methyl-3-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrazol-4-amine?
1-methyl-3-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrazol-4-amine is sourced from PubChem (CID 66012353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).