1-(4-tert-butylphenyl)-3-methylpyrazole

C14H18N2 — CID 155445813

IUPAC1-(4-tert-butylphenyl)-3-methylpyrazole
SMILESCc1ccn(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C14H18N2/c1-11-9-10-16(15-11)13-7-5-12(6-8-13)14(2,3)4/h5-10H,1-4H3
InChIKeyWGPRYJNERXKGHZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.48
Rot. Bonds1

About 1-(4-tert-butylphenyl)-3-methylpyrazole

1-(4-tert-butylphenyl)-3-methylpyrazole (PubChem CID 155445813) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-methylpyrazole.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-methylpyrazole
PubChem CID155445813
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-(4-tert-butylphenyl)-3-methylpyrazole
SMILESCc1ccn(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C14H18N2/c1-11-9-10-16(15-11)13-7-5-12(6-8-13)14(2,3)4/h5-10H,1-4H3
InChIKeyWGPRYJNERXKGHZ-UHFFFAOYSA-N
XLogP3.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-methylpyrazole?
The IUPAC name of 1-(4-tert-butylphenyl)-3-methylpyrazole (CID 155445813) is 1-(4-tert-butylphenyl)-3-methylpyrazole.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-methylpyrazole?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-methylpyrazole is Cc1ccn(-c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-methylpyrazole?
The InChIKey is WGPRYJNERXKGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-9-10-16(15-11)13-7-5-12(6-8-13)14(2,3)4/h5-10H,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-methylpyrazole?
1-(4-tert-butylphenyl)-3-methylpyrazole has a molecular weight of 214.31 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-methylpyrazole is sourced from PubChem (CID 155445813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).