N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine

C17H19N3O — CID 103866875

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine
SMILESCOc1ccc2cc(CNc3cn(C)nc3C)ccc2c1
InChIInChI=1S/C17H19N3O/c1-12-17(11-20(2)19-12)18-10-13-4-5-15-9-16(21-3)7-6-14(15)8-13/h4-9,11,18H,10H2,1-3H3
InChIKeyQUSGSAXCPPGYFJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.50
Rot. Bonds4

About N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine

N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine (PubChem CID 103866875) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine
PubChem CID103866875
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine
SMILESCOc1ccc2cc(CNc3cn(C)nc3C)ccc2c1
InChIInChI=1S/C17H19N3O/c1-12-17(11-20(2)19-12)18-10-13-4-5-15-9-16(21-3)7-6-14(15)8-13/h4-9,11,18H,10H2,1-3H3
InChIKeyQUSGSAXCPPGYFJ-UHFFFAOYSA-N
XLogP3.50
TPSA39.08 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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866845
N-[(3,4-dibromophenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 104954421
N-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122168201
1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine
CID 104954455
N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126965644
1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 104954401
4-methoxy-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 62865764
N-[(2,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909000
4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline
CID 29054094
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 102803440
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine
CID 19618925
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 104954500

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine (CID 103866875) is N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine is COc1ccc2cc(CNc3cn(C)nc3C)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine?
The InChIKey is QUSGSAXCPPGYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-17(11-20(2)19-12)18-10-13-4-5-15-9-16(21-3)7-6-14(15)8-13/h4-9,11,18H,10H2,1-3H3.
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine?
N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine has a molecular weight of 281.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 103866875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).