N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine

C17H23N3 — CID 82877218

IUPACN-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine
SMILESCNC(Cc1ccn(C)n1)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H23N3/c1-18-16(13-15-9-12-20(2)19-15)17(10-6-11-17)14-7-4-3-5-8-14/h3-5,7-9,12,16,18H,6,10-11,13H2,1-2H3
InChIKeyUHFJGLYZZOUNND-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.67
Rot. Bonds5

About N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine

N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine (PubChem CID 82877218) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine
PubChem CID82877218
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine
SMILESCNC(Cc1ccn(C)n1)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H23N3/c1-18-16(13-15-9-12-20(2)19-15)17(10-6-11-17)14-7-4-3-5-8-14/h3-5,7-9,12,16,18H,6,10-11,13H2,1-2H3
InChIKeyUHFJGLYZZOUNND-UHFFFAOYSA-N
XLogP2.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine
CID 107049115
N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105175075
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 116767770
N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanamine
CID 82869589
N-ethyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine
CID 107049129
1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772434
N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 103130823
N,3-dimethyl-1-(1-phenylcyclopentyl)pentan-1-amine
CID 55187965
1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877542
N-methyl-1-(3-methyl-1-adamantyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025270
2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 65477303
2-(2-bromophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 63080919

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine?
The IUPAC name of N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine (CID 82877218) is N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine?
The canonical SMILES for N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine is CNC(Cc1ccn(C)n1)C1(c2ccccc2)CCC1.
What is the InChIKey of N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine?
The InChIKey is UHFJGLYZZOUNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-18-16(13-15-9-12-20(2)19-15)17(10-6-11-17)14-7-4-3-5-8-14/h3-5,7-9,12,16,18H,6,10-11,13H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine?
N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine is sourced from PubChem (CID 82877218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).