1-(2-tert-butyl-4-methoxyphenyl)pyrazole

C14H18N2O — CID 160761915

IUPAC1-(2-tert-butyl-4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-n2cccn2)c(C(C)(C)C)c1
InChIInChI=1S/C14H18N2O/c1-14(2,3)12-10-11(17-4)6-7-13(12)16-9-5-8-15-16/h5-10H,1-4H3
InChIKeyCPEBNJUAXZAZBZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.18
Rot. Bonds2

About 1-(2-tert-butyl-4-methoxyphenyl)pyrazole

1-(2-tert-butyl-4-methoxyphenyl)pyrazole (PubChem CID 160761915) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name1-(2-tert-butyl-4-methoxyphenyl)pyrazole
PubChem CID160761915
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(2-tert-butyl-4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-n2cccn2)c(C(C)(C)C)c1
InChIInChI=1S/C14H18N2O/c1-14(2,3)12-10-11(17-4)6-7-13(12)16-9-5-8-15-16/h5-10H,1-4H3
InChIKeyCPEBNJUAXZAZBZ-UHFFFAOYSA-N
XLogP3.18
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-methoxyphenyl)pyrazole?
The IUPAC name of 1-(2-tert-butyl-4-methoxyphenyl)pyrazole (CID 160761915) is 1-(2-tert-butyl-4-methoxyphenyl)pyrazole.
What is the SMILES notation for 1-(2-tert-butyl-4-methoxyphenyl)pyrazole?
The canonical SMILES for 1-(2-tert-butyl-4-methoxyphenyl)pyrazole is COc1ccc(-n2cccn2)c(C(C)(C)C)c1.
What is the InChIKey of 1-(2-tert-butyl-4-methoxyphenyl)pyrazole?
The InChIKey is CPEBNJUAXZAZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2,3)12-10-11(17-4)6-7-13(12)16-9-5-8-15-16/h5-10H,1-4H3.
What are the key properties of 1-(2-tert-butyl-4-methoxyphenyl)pyrazole?
1-(2-tert-butyl-4-methoxyphenyl)pyrazole has a molecular weight of 230.31 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-methoxyphenyl)pyrazole is sourced from PubChem (CID 160761915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).