N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine

C16H21N3 — CID 115531969

IUPACN-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NC2c3ccccc3CCC2(C)C)n1
InChIInChI=1S/C16H21N3/c1-16(2)10-8-12-6-4-5-7-13(12)15(16)17-14-9-11-19(3)18-14/h4-7,9,11,15H,8,10H2,1-3H3,(H,17,18)
InChIKeyPOOSYPPMSWIASL-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.55
Rot. Bonds2

About N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine

N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine (PubChem CID 115531969) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine
PubChem CID115531969
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NC2c3ccccc3CCC2(C)C)n1
InChIInChI=1S/C16H21N3/c1-16(2)10-8-12-6-4-5-7-13(12)15(16)17-14-9-11-19(3)18-14/h4-7,9,11,15H,8,10H2,1-3H3,(H,17,18)
InChIKeyPOOSYPPMSWIASL-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
CID 115491538
N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine
CID 83067690
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine
CID 83010508
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)pyridin-3-amine
CID 115531786
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine
CID 113329807
2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531800
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-5-methylpyridin-3-amine
CID 107584671
1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrazol-3-amine
CID 103568632
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531796
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531857
N-(2-chloro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531891

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine (CID 115531969) is N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine is Cn1ccc(NC2c3ccccc3CCC2(C)C)n1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine?
The InChIKey is POOSYPPMSWIASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2)10-8-12-6-4-5-7-13(12)15(16)17-14-9-11-19(3)18-14/h4-7,9,11,15H,8,10H2,1-3H3,(H,17,18).
What are the key properties of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine?
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine has a molecular weight of 255.37 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 115531969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).