3-ethyl-1-methyl-5-naphthalen-1-yloxypyrazol-4-amine

C16H17N3O — CID 66014063

IUPAC3-ethyl-1-methyl-5-naphthalen-1-yloxypyrazol-4-amine
SMILESCCc1nn(C)c(Oc2cccc3ccccc23)c1N
InChIInChI=1S/C16H17N3O/c1-3-13-15(17)16(19(2)18-13)20-14-10-6-8-11-7-4-5-9-12(11)14/h4-10H,3,17H2,1-2H3
InChIKeyDBVJECIPCQKIGS-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds3

About 3-ethyl-1-methyl-5-naphthalen-1-yloxypyrazol-4-amine

3-ethyl-1-methyl-5-naphthalen-1-yloxypyrazol-4-amine (PubChem CID 66014063) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-naphthalen-1-yloxypyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-naphthalen-1-yloxypyrazol-4-amine
PubChem CID66014063
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-ethyl-1-methyl-5-naphthalen-1-yloxypyrazol-4-amine
SMILESCCc1nn(C)c(Oc2cccc3ccccc23)c1N
InChIInChI=1S/C16H17N3O/c1-3-13-15(17)16(19(2)18-13)20-14-10-6-8-11-7-4-5-9-12(11)14/h4-10H,3,17H2,1-2H3
InChIKeyDBVJECIPCQKIGS-UHFFFAOYSA-N
XLogP3.51
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
CID 66015459
5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
CID 66014073
3-ethyl-5-(4-ethyl-2-methoxyphenoxy)-1-methylpyrazol-4-amine
CID 107663815
5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine
CID 66017182
2-(4-amino-1-methyl-3-propylpyrazol-5-yl)oxybenzamide
CID 66017755
1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine
CID 66019114
4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)oxy-3-fluorobenzonitrile
CID 107670120
3-ethyl-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine
CID 66015678
5-(4-chloro-3,5-dimethylphenoxy)-3-ethyl-1-methylpyrazol-4-amine
CID 66015672
2,6-dinaphthalen-1-yloxypyridin-4-amine
CID 59962167
5-(4-bromo-3-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
CID 66016663
5-(2,5-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine
CID 66017374

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-naphthalen-1-yloxypyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-5-naphthalen-1-yloxypyrazol-4-amine (CID 66014063) is 3-ethyl-1-methyl-5-naphthalen-1-yloxypyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-5-naphthalen-1-yloxypyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-5-naphthalen-1-yloxypyrazol-4-amine is CCc1nn(C)c(Oc2cccc3ccccc23)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-naphthalen-1-yloxypyrazol-4-amine?
The InChIKey is DBVJECIPCQKIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-13-15(17)16(19(2)18-13)20-14-10-6-8-11-7-4-5-9-12(11)14/h4-10H,3,17H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-5-naphthalen-1-yloxypyrazol-4-amine?
3-ethyl-1-methyl-5-naphthalen-1-yloxypyrazol-4-amine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-naphthalen-1-yloxypyrazol-4-amine is sourced from PubChem (CID 66014063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).