N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine

C14H19N3 — CID 105083946

IUPACN-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCNC(c1ccccc1)c1c(C)nn(C)c1C
InChIInChI=1S/C14H19N3/c1-10-13(11(2)17(4)16-10)14(15-3)12-8-6-5-7-9-12/h5-9,14-15H,1-4H3
InChIKeyASLUADKLUAQMNU-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.35
Rot. Bonds3

About N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine

N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 105083946) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID105083946
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCNC(c1ccccc1)c1c(C)nn(C)c1C
InChIInChI=1S/C14H19N3/c1-10-13(11(2)17(4)16-10)14(15-3)12-8-6-5-7-9-12/h5-9,14-15H,1-4H3
InChIKeyASLUADKLUAQMNU-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105282920
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105188112
N-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105180782
1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 60595650
[pyridin-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105287039
[(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105300373
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105115555
N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 106785451
[[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105302308
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105187282
N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 105187849
N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105121579

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 105083946) is N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is CNC(c1ccccc1)c1c(C)nn(C)c1C.
What is the InChIKey of N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is ASLUADKLUAQMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-13(11(2)17(4)16-10)14(15-3)12-8-6-5-7-9-12/h5-9,14-15H,1-4H3.
What are the key properties of N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 105083946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).