2-tert-butyl-4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazine

C18H21N5 — CID 140595823

IUPAC2-tert-butyl-4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazine
SMILESCc1cc(C)n(-c2cccc(-c3ncnc(C(C)(C)C)n3)c2)n1
InChIInChI=1S/C18H21N5/c1-12-9-13(2)23(22-12)15-8-6-7-14(10-15)16-19-11-20-17(21-16)18(3,4)5/h6-11H,1-5H3
InChIKeyKQLLNLHLHGEOSE-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.64
Rot. Bonds2

About 2-tert-butyl-4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazine

2-tert-butyl-4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazine (PubChem CID 140595823) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-tert-butyl-4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazine
PubChem CID140595823
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-tert-butyl-4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazine
SMILESCc1cc(C)n(-c2cccc(-c3ncnc(C(C)(C)C)n3)c2)n1
InChIInChI=1S/C18H21N5/c1-12-9-13(2)23(22-12)15-8-6-7-14(10-15)16-19-11-20-17(21-16)18(3,4)5/h6-11H,1-5H3
InChIKeyKQLLNLHLHGEOSE-UHFFFAOYSA-N
XLogP3.64
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-1-[3-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]phenyl]pyrazole
CID 159817275
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanimine
CID 59894352
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 16640536
3-(3,5-dimethylpyrazol-1-yl)benzaldehyde;hydrochloride
CID 46735947
CID 58656859
CID 58656859
6-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51052834
3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanoic acid
CID 82478484
2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane
CID 144722920
ethyl 3-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50883494
4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3,4-dihydroxybutanoic acid
CID 171878650
2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 80965254
3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene
CID 171972788

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazine (CID 140595823) is 2-tert-butyl-4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazine is Cc1cc(C)n(-c2cccc(-c3ncnc(C(C)(C)C)n3)c2)n1.
What is the InChIKey of 2-tert-butyl-4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazine?
The InChIKey is KQLLNLHLHGEOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-12-9-13(2)23(22-12)15-8-6-7-14(10-15)16-19-11-20-17(21-16)18(3,4)5/h6-11H,1-5H3.
What are the key properties of 2-tert-butyl-4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazine?
2-tert-butyl-4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazine has a molecular weight of 307.40 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 140595823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).