3-(3-tert-butyl-2-methylphenyl)-1-propylpyrazole

C17H24N2 — CID 130265832

IUPAC3-(3-tert-butyl-2-methylphenyl)-1-propylpyrazole
SMILESCCCn1ccc(-c2cccc(C(C)(C)C)c2C)n1
InChIInChI=1S/C17H24N2/c1-6-11-19-12-10-16(18-19)14-8-7-9-15(13(14)2)17(3,4)5/h7-10,12H,6,11H2,1-5H3
InChIKeyNHSLNSABIQSOQR-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.57
Rot. Bonds3

About 3-(3-tert-butyl-2-methylphenyl)-1-propylpyrazole

3-(3-tert-butyl-2-methylphenyl)-1-propylpyrazole (PubChem CID 130265832) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(3-tert-butyl-2-methylphenyl)-1-propylpyrazole.

Molecular Properties

Compound Name3-(3-tert-butyl-2-methylphenyl)-1-propylpyrazole
PubChem CID130265832
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-(3-tert-butyl-2-methylphenyl)-1-propylpyrazole
SMILESCCCn1ccc(-c2cccc(C(C)(C)C)c2C)n1
InChIInChI=1S/C17H24N2/c1-6-11-19-12-10-16(18-19)14-8-7-9-15(13(14)2)17(3,4)5/h7-10,12H,6,11H2,1-5H3
InChIKeyNHSLNSABIQSOQR-UHFFFAOYSA-N
XLogP4.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-2-methylphenyl)-1-propylpyrazole?
The IUPAC name of 3-(3-tert-butyl-2-methylphenyl)-1-propylpyrazole (CID 130265832) is 3-(3-tert-butyl-2-methylphenyl)-1-propylpyrazole.
What is the SMILES notation for 3-(3-tert-butyl-2-methylphenyl)-1-propylpyrazole?
The canonical SMILES for 3-(3-tert-butyl-2-methylphenyl)-1-propylpyrazole is CCCn1ccc(-c2cccc(C(C)(C)C)c2C)n1.
What is the InChIKey of 3-(3-tert-butyl-2-methylphenyl)-1-propylpyrazole?
The InChIKey is NHSLNSABIQSOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-6-11-19-12-10-16(18-19)14-8-7-9-15(13(14)2)17(3,4)5/h7-10,12H,6,11H2,1-5H3.
What are the key properties of 3-(3-tert-butyl-2-methylphenyl)-1-propylpyrazole?
3-(3-tert-butyl-2-methylphenyl)-1-propylpyrazole has a molecular weight of 256.39 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-2-methylphenyl)-1-propylpyrazole is sourced from PubChem (CID 130265832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).