1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine

C17H25N3O — CID 63817332

IUPAC1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine
SMILESCc1nn(C)c(Oc2ccc(C(C)C)cc2)c1CC(C)N
InChIInChI=1S/C17H25N3O/c1-11(2)14-6-8-15(9-7-14)21-17-16(10-12(3)18)13(4)19-20(17)5/h6-9,11-12H,10,18H2,1-5H3
InChIKeyHHFAMZOIQJABPR-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.53
Rot. Bonds5

About 1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine

1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine (PubChem CID 63817332) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine
PubChem CID63817332
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine
SMILESCc1nn(C)c(Oc2ccc(C(C)C)cc2)c1CC(C)N
InChIInChI=1S/C17H25N3O/c1-11(2)14-6-8-15(9-7-14)21-17-16(10-12(3)18)13(4)19-20(17)5/h6-9,11-12H,10,18H2,1-5H3
InChIKeyHHFAMZOIQJABPR-UHFFFAOYSA-N
XLogP3.53
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine (CID 63817332) is 1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine is Cc1nn(C)c(Oc2ccc(C(C)C)cc2)c1CC(C)N.
What is the InChIKey of 1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine?
The InChIKey is HHFAMZOIQJABPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11(2)14-6-8-15(9-7-14)21-17-16(10-12(3)18)13(4)19-20(17)5/h6-9,11-12H,10,18H2,1-5H3.
What are the key properties of 1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine?
1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 63817332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).