1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine

C16H17N3O — CID 82092271

IUPAC1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine
SMILESCn1nc(CCOc2ccc3ccccc3c2)cc1N
InChIInChI=1S/C16H17N3O/c1-19-16(17)11-14(18-19)8-9-20-15-7-6-12-4-2-3-5-13(12)10-15/h2-7,10-11H,8-9,17H2,1H3
InChIKeyOQZDTGCDUNKNIU-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.78
Rot. Bonds4

About 1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine

1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine (PubChem CID 82092271) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine
PubChem CID82092271
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine
SMILESCn1nc(CCOc2ccc3ccccc3c2)cc1N
InChIInChI=1S/C16H17N3O/c1-19-16(17)11-14(18-19)8-9-20-15-7-6-12-4-2-3-5-13(12)10-15/h2-7,10-11H,8-9,17H2,1H3
InChIKeyOQZDTGCDUNKNIU-UHFFFAOYSA-N
XLogP2.78
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine
CID 82087820
3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82079978
1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine
CID 66019114
3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82083972
1-(2-naphthalen-2-yloxyethyl)pyrrole
CID 82083884
[4-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
CID 20990903
[2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-4-yl]methanol
CID 82154533
3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine
CID 82082157
2-methyl-4-naphthalen-2-yloxybutan-2-amine
CID 10561404
3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine
CID 82085161
2-(3-phenylpropoxy)naphthalene
CID 13432986
2-ethoxynaphthalene
CID 118978197

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine (CID 82092271) is 1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine is Cn1nc(CCOc2ccc3ccccc3c2)cc1N.
What is the InChIKey of 1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine?
The InChIKey is OQZDTGCDUNKNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19-16(17)11-14(18-19)8-9-20-15-7-6-12-4-2-3-5-13(12)10-15/h2-7,10-11H,8-9,17H2,1H3.
What are the key properties of 1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine?
1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine has a molecular weight of 267.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine is sourced from PubChem (CID 82092271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).