N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C15H19N3 — CID 60664575

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCn1cc(CNC2CCc3ccccc3C2)cn1
InChIInChI=1S/C15H19N3/c1-18-11-12(10-17-18)9-16-15-7-6-13-4-2-3-5-14(13)8-15/h2-5,10-11,15-16H,6-9H2,1H3
InChIKeyVZSCRRXMROAWIF-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.07
Rot. Bonds3

About N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 60664575) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID60664575
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCn1cc(CNC2CCc3ccccc3C2)cn1
InChIInChI=1S/C15H19N3/c1-18-11-12(10-17-18)9-16-15-7-6-13-4-2-3-5-14(13)8-15/h2-5,10-11,15-16H,6-9H2,1H3
InChIKeyVZSCRRXMROAWIF-UHFFFAOYSA-N
XLogP2.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625881
(2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983305
N-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107042348
N-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 89120982
N-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60658203
(2S)-N-[(3,5-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983162
N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60695151
N-[(1-methylpyrazol-4-yl)methyl]bicyclo[3.1.0]hexan-3-amine
CID 130791747
N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 80707817
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63315178
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103275527
N-[(3-bromo-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 105401472

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 60664575) is N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is Cn1cc(CNC2CCc3ccccc3C2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is VZSCRRXMROAWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-18-11-12(10-17-18)9-16-15-7-6-13-4-2-3-5-14(13)8-15/h2-5,10-11,15-16H,6-9H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 241.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 60664575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).