N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dimethyl-1H-pyrazol-4-amine

C16H21N3O — CID 79239080

IUPACN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCOc1ccc2c(c1)C(Nc1c(C)n[nH]c1C)CCC2
InChIInChI=1S/C16H21N3O/c1-10-16(11(2)19-18-10)17-15-6-4-5-12-7-8-13(20-3)9-14(12)15/h7-9,15,17H,4-6H2,1-3H3,(H,18,19)
InChIKeyVPOSCYZVRSLTBL-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.52
Rot. Bonds3

About N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dimethyl-1H-pyrazol-4-amine

N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 79239080) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID79239080
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCOc1ccc2c(c1)C(Nc1c(C)n[nH]c1C)CCC2
InChIInChI=1S/C16H21N3O/c1-10-16(11(2)19-18-10)17-15-6-4-5-12-7-8-13(20-3)9-14(12)15/h7-9,15,17H,4-6H2,1-3H3,(H,18,19)
InChIKeyVPOSCYZVRSLTBL-UHFFFAOYSA-N
XLogP3.52
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyridin-3-amine
CID 79248518
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 103725185
7-methoxy-N-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239327
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587
N-(2-bromo-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79231811
N-(5-chloro-2-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79230733
N-(2-fluoro-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79233981
N-cyclohexyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239408
N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239496
N-(3-ethylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79232093
7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239504
N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 83078051

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dimethyl-1H-pyrazol-4-amine (CID 79239080) is N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dimethyl-1H-pyrazol-4-amine is COc1ccc2c(c1)C(Nc1c(C)n[nH]c1C)CCC2.
What is the InChIKey of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is VPOSCYZVRSLTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-16(11(2)19-18-10)17-15-6-4-5-12-7-8-13(20-3)9-14(12)15/h7-9,15,17H,4-6H2,1-3H3,(H,18,19).
What are the key properties of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 79239080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).