(2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine

C16H23N3 — CID 105155071

IUPAC(2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1cc(C)c(C(N)c2c(C)nn(C)c2C)cc1C
InChIInChI=1S/C16H23N3/c1-9-7-11(3)14(8-10(9)2)16(17)15-12(4)18-19(6)13(15)5/h7-8,16H,17H2,1-6H3
InChIKeyGZGYWYWSQWJHMO-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.01
Rot. Bonds2

About (2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine

(2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 105155071) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID105155071
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1cc(C)c(C(N)c2c(C)nn(C)c2C)cc1C
InChIInChI=1S/C16H23N3/c1-9-7-11(3)14(8-10(9)2)16(17)15-12(4)18-19(6)13(15)5/h7-8,16H,17H2,1-6H3
InChIKeyGZGYWYWSQWJHMO-UHFFFAOYSA-N
XLogP3.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105155115
(2-chlorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 115580073
(5-methylthiophen-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105155533
(2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105175854
quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105172503
isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105147400
[4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 102709995
[2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105180506
(2,4,5-trimethylfuran-3-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990456
1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 115580072
(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105187932
[3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105188108

Frequently Asked Questions

What is the IUPAC name of (2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of (2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 105155071) is (2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for (2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine is Cc1cc(C)c(C(N)c2c(C)nn(C)c2C)cc1C.
What is the InChIKey of (2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is GZGYWYWSQWJHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-9-7-11(3)14(8-10(9)2)16(17)15-12(4)18-19(6)13(15)5/h7-8,16H,17H2,1-6H3.
What are the key properties of (2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
(2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 257.38 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 105155071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).