5-(4-tert-butylphenyl)-1,3-dimethylpyrazole

C15H20N2 — CID 116856714

IUPAC5-(4-tert-butylphenyl)-1,3-dimethylpyrazole
SMILESCc1cc(-c2ccc(C(C)(C)C)cc2)n(C)n1
InChIInChI=1S/C15H20N2/c1-11-10-14(17(5)16-11)12-6-8-13(9-7-12)15(2,3)4/h6-10H,1-5H3
InChIKeyBGCSBSQGCPLQGL-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.69
Rot. Bonds1

About 5-(4-tert-butylphenyl)-1,3-dimethylpyrazole

5-(4-tert-butylphenyl)-1,3-dimethylpyrazole (PubChem CID 116856714) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-1,3-dimethylpyrazole
PubChem CID116856714
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name5-(4-tert-butylphenyl)-1,3-dimethylpyrazole
SMILESCc1cc(-c2ccc(C(C)(C)C)cc2)n(C)n1
InChIInChI=1S/C15H20N2/c1-11-10-14(17(5)16-11)12-6-8-13(9-7-12)15(2,3)4/h6-10H,1-5H3
InChIKeyBGCSBSQGCPLQGL-UHFFFAOYSA-N
XLogP3.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole
CID 155276309
N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685894
5-(3-bromophenyl)-1,3-dimethylpyrazole
CID 116856814
4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 10038843
5-(furan-2-yl)-1,3-dimethylpyrazole
CID 59635617
5-(4-tert-butylphenyl)-1,2-dimethylimidazole
CID 155445809
5-(3-methoxyphenyl)-1,3-dimethylpyrazole
CID 57246578
tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate
CID 171682426
5-(2,6-difluorophenyl)-1,3-dimethylpyrazole
CID 66614304
5-(2,5-dimethylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 116856803
5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46105004
5-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 115111437

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-1,3-dimethylpyrazole?
The IUPAC name of 5-(4-tert-butylphenyl)-1,3-dimethylpyrazole (CID 116856714) is 5-(4-tert-butylphenyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 5-(4-tert-butylphenyl)-1,3-dimethylpyrazole?
The canonical SMILES for 5-(4-tert-butylphenyl)-1,3-dimethylpyrazole is Cc1cc(-c2ccc(C(C)(C)C)cc2)n(C)n1.
What is the InChIKey of 5-(4-tert-butylphenyl)-1,3-dimethylpyrazole?
The InChIKey is BGCSBSQGCPLQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-10-14(17(5)16-11)12-6-8-13(9-7-12)15(2,3)4/h6-10H,1-5H3.
What are the key properties of 5-(4-tert-butylphenyl)-1,3-dimethylpyrazole?
5-(4-tert-butylphenyl)-1,3-dimethylpyrazole has a molecular weight of 228.34 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 116856714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).