4-(4-tert-butylphenyl)-1-ethylpyrazole

C15H20N2 — CID 126653145

IUPAC4-(4-tert-butylphenyl)-1-ethylpyrazole
SMILESCCn1cc(-c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C15H20N2/c1-5-17-11-13(10-16-17)12-6-8-14(9-7-12)15(2,3)4/h6-11H,5H2,1-4H3
InChIKeyNSQKUPXTCZCFDI-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.87
Rot. Bonds2

About 4-(4-tert-butylphenyl)-1-ethylpyrazole

4-(4-tert-butylphenyl)-1-ethylpyrazole (PubChem CID 126653145) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-1-ethylpyrazole.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-1-ethylpyrazole
PubChem CID126653145
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name4-(4-tert-butylphenyl)-1-ethylpyrazole
SMILESCCn1cc(-c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C15H20N2/c1-5-17-11-13(10-16-17)12-6-8-14(9-7-12)15(2,3)4/h6-11H,5H2,1-4H3
InChIKeyNSQKUPXTCZCFDI-UHFFFAOYSA-N
XLogP3.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-1-ethylpyrazole?
The IUPAC name of 4-(4-tert-butylphenyl)-1-ethylpyrazole (CID 126653145) is 4-(4-tert-butylphenyl)-1-ethylpyrazole.
What is the SMILES notation for 4-(4-tert-butylphenyl)-1-ethylpyrazole?
The canonical SMILES for 4-(4-tert-butylphenyl)-1-ethylpyrazole is CCn1cc(-c2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of 4-(4-tert-butylphenyl)-1-ethylpyrazole?
The InChIKey is NSQKUPXTCZCFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-5-17-11-13(10-16-17)12-6-8-14(9-7-12)15(2,3)4/h6-11H,5H2,1-4H3.
What are the key properties of 4-(4-tert-butylphenyl)-1-ethylpyrazole?
4-(4-tert-butylphenyl)-1-ethylpyrazole has a molecular weight of 228.34 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-1-ethylpyrazole is sourced from PubChem (CID 126653145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).