1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine

C17H19N3O — CID 66019114

IUPAC1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(Oc2ccc3ccccc3c2)c1N
InChIInChI=1S/C17H19N3O/c1-3-6-15-16(18)17(20(2)19-15)21-14-10-9-12-7-4-5-8-13(12)11-14/h4-5,7-11H,3,6,18H2,1-2H3
InChIKeyOPOPGVIQDLOAKS-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds4

About 1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine

1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine (PubChem CID 66019114) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine
PubChem CID66019114
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(Oc2ccc3ccccc3c2)c1N
InChIInChI=1S/C17H19N3O/c1-3-6-15-16(18)17(20(2)19-15)21-14-10-9-12-7-4-5-8-13(12)11-14/h4-5,7-11H,3,6,18H2,1-2H3
InChIKeyOPOPGVIQDLOAKS-UHFFFAOYSA-N
XLogP3.90
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine?
The IUPAC name of 1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine (CID 66019114) is 1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine?
The canonical SMILES for 1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine is CCCc1nn(C)c(Oc2ccc3ccccc3c2)c1N.
What is the InChIKey of 1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine?
The InChIKey is OPOPGVIQDLOAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-6-15-16(18)17(20(2)19-15)21-14-10-9-12-7-4-5-8-13(12)11-14/h4-5,7-11H,3,6,18H2,1-2H3.
What are the key properties of 1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine?
1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine is sourced from PubChem (CID 66019114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).