1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine

C16H23N3 — CID 105090473

IUPAC1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCCc1cc(C(NC)c2cccc(C)c2)n(CC)n1
InChIInChI=1S/C16H23N3/c1-5-14-11-15(19(6-2)18-14)16(17-4)13-9-7-8-12(3)10-13/h7-11,16-17H,5-6H2,1-4H3
InChIKeyKZYCHUBDJZJIQU-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.08
Rot. Bonds5

About 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine

1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine (PubChem CID 105090473) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
PubChem CID105090473
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCCc1cc(C(NC)c2cccc(C)c2)n(CC)n1
InChIInChI=1S/C16H23N3/c1-5-14-11-15(19(6-2)18-14)16(17-4)13-9-7-8-12(3)10-13/h7-11,16-17H,5-6H2,1-4H3
InChIKeyKZYCHUBDJZJIQU-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 105180098
1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142360
1-(3-cyclobutylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105189517
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105188038
1-(3,4-diethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115482251
1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine
CID 105084399
[(1,3-diethylpyrazol-5-yl)-(2,6-difluorophenyl)methyl]hydrazine
CID 105308082
1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 105149904
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
CID 105182837
[(1,3-diethylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105302786
2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 106867142
1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105182099

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine (CID 105090473) is 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine is CCc1cc(C(NC)c2cccc(C)c2)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine?
The InChIKey is KZYCHUBDJZJIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-14-11-15(19(6-2)18-14)16(17-4)13-9-7-8-12(3)10-13/h7-11,16-17H,5-6H2,1-4H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine?
1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine has a molecular weight of 257.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 105090473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).