1-tert-butyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole

C17H24N2 — CID 59222294

IUPAC1-tert-butyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole
SMILESCc1ccc(-c2cc(C(C)C)n(C(C)(C)C)n2)cc1
InChIInChI=1S/C17H24N2/c1-12(2)16-11-15(18-19(16)17(4,5)6)14-9-7-13(3)8-10-14/h7-12H,1-6H3
InChIKeyPHDDORYYNZTLKE-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.74
Rot. Bonds2

About 1-tert-butyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole

1-tert-butyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole (PubChem CID 59222294) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-tert-butyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole
PubChem CID59222294
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-tert-butyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole
SMILESCc1ccc(-c2cc(C(C)C)n(C(C)(C)C)n2)cc1
InChIInChI=1S/C17H24N2/c1-12(2)16-11-15(18-19(16)17(4,5)6)14-9-7-13(3)8-10-14/h7-12H,1-6H3
InChIKeyPHDDORYYNZTLKE-UHFFFAOYSA-N
XLogP4.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole 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

1-tert-butyl-3-(4-methylphenyl)pyrazol-5-amine
CID 43436044
6-[5-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-1H-pyrrol-2-yl]pyridine-3-carboxylic acid
CID 135779235
1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide
CID 56503498
1-tert-butyl-5-(4-chlorophenyl)-3-phenylpyrazole
CID 71661394
1,5-dimethyl-3-(4-methylphenyl)pyrazole
CID 10679126
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-tert-butyl-5-propan-2-ylpyrazole-3-carboxylate
CID 51117628
2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83849137
3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine
CID 61271886
3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole
CID 102338518
2-methyl-6-(4-methylphenyl)pyridazin-3-one
CID 7027991
1-(3,5-dimethylphenyl)-3-(4-methylphenyl)pyrazol-5-amine
CID 43542633
2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 61336472

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole?
The IUPAC name of 1-tert-butyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole (CID 59222294) is 1-tert-butyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole.
What is the SMILES notation for 1-tert-butyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole?
The canonical SMILES for 1-tert-butyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole is Cc1ccc(-c2cc(C(C)C)n(C(C)(C)C)n2)cc1.
What is the InChIKey of 1-tert-butyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole?
The InChIKey is PHDDORYYNZTLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-12(2)16-11-15(18-19(16)17(4,5)6)14-9-7-13(3)8-10-14/h7-12H,1-6H3.
What are the key properties of 1-tert-butyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole?
1-tert-butyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole has a molecular weight of 256.39 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole is sourced from PubChem (CID 59222294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).