3-methyl-5-naphthalen-2-yloxy-1-propan-2-ylpyrazol-4-amine

C17H19N3O — CID 66024832

IUPAC3-methyl-5-naphthalen-2-yloxy-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(Oc2ccc3ccccc3c2)c1N
InChIInChI=1S/C17H19N3O/c1-11(2)20-17(16(18)12(3)19-20)21-15-9-8-13-6-4-5-7-14(13)10-15/h4-11H,18H2,1-3H3
InChIKeyIRRAZJMRGOFJJR-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.30
Rot. Bonds3

About 3-methyl-5-naphthalen-2-yloxy-1-propan-2-ylpyrazol-4-amine

3-methyl-5-naphthalen-2-yloxy-1-propan-2-ylpyrazol-4-amine (PubChem CID 66024832) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-methyl-5-naphthalen-2-yloxy-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-naphthalen-2-yloxy-1-propan-2-ylpyrazol-4-amine
PubChem CID66024832
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-methyl-5-naphthalen-2-yloxy-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(Oc2ccc3ccccc3c2)c1N
InChIInChI=1S/C17H19N3O/c1-11(2)20-17(16(18)12(3)19-20)21-15-9-8-13-6-4-5-7-14(13)10-15/h4-11H,18H2,1-3H3
InChIKeyIRRAZJMRGOFJJR-UHFFFAOYSA-N
XLogP4.30
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-naphthalen-2-yloxy-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 3-methyl-5-naphthalen-2-yloxy-1-propan-2-ylpyrazol-4-amine (CID 66024832) is 3-methyl-5-naphthalen-2-yloxy-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-5-naphthalen-2-yloxy-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 3-methyl-5-naphthalen-2-yloxy-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)c(Oc2ccc3ccccc3c2)c1N.
What is the InChIKey of 3-methyl-5-naphthalen-2-yloxy-1-propan-2-ylpyrazol-4-amine?
The InChIKey is IRRAZJMRGOFJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11(2)20-17(16(18)12(3)19-20)21-15-9-8-13-6-4-5-7-14(13)10-15/h4-11H,18H2,1-3H3.
What are the key properties of 3-methyl-5-naphthalen-2-yloxy-1-propan-2-ylpyrazol-4-amine?
3-methyl-5-naphthalen-2-yloxy-1-propan-2-ylpyrazol-4-amine has a molecular weight of 281.36 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-naphthalen-2-yloxy-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66024832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).