1-(2-tert-butyl-4-fluorophenyl)pyrazole;1-(3-tert-butyl-5-methylphenyl)pyrazole;1-(3-tert-butylphenyl)-4-ethylpyrazole;1-(2-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-3-methylpyrazole;bis(1-(3-tert-butylphenyl)-4-methylpyrazole);4-(3-tert-butylphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole

C150H189FN22 — CID 161173566

IUPAC1-(2-tert-butyl-4-fluorophenyl)pyrazole;1-(3-tert-butyl-5-methylphenyl)pyrazole;1-(3-tert-butylphenyl)-4-ethylpyrazole;1-(2-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-3-methylpyrazole;bis(1-(3-tert-butylphenyl)-4-methylpyrazole);4-(3-tert-butylphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole
SMILESCC(C)(C)c1cc(F)ccc1-n1cccn1.CC(C)(C)c1cccc(-c2cn[nH]c2)c1.CC(C)(C)c1cccc(-n2cccn2)c1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1ccccc1-n1ccnc1.CCc1cnn(-c2cccc(C(C)(C)C)c2)c1.Cc1cc(-n2cccn2)cc(C(C)(C)C)c1.Cc1ccn(-c2cccc(C(C)(C)C)c2)n1.Cc1cnn(-c2cccc(C(C)(C)C)c2)c1.Cc1cnn(-c2cccc(C(C)(C)C)c2)c1.Cn1cc(-c2cccc(C(C)(C)C)c2)cn1
InChIInChI=1S/C15H20N2.5C14H18N2.C13H15FN2.4C13H16N2/c1-5-12-10-16-17(11-12)14-8-6-7-13(9-14)15(2,3)4;1-14(2,3)13-7-5-6-11(8-13)12-9-15-16(4)10-12;2*1-11-9-15-16(10-11)13-7-5-6-12(8-13)14(2,3)4;1-11-8-12(14(2,3)4)10-13(9-11)16-7-5-6-15-16;1-11-8-9-16(15-11)13-7-5-6-12(10-13)14(2,3)4;1-13(2,3)11-9-10(14)5-6-12(11)16-8-4-7-15-16;1-13(2,3)11-6-4-7-12(10-11)15-9-5-8-14-15;1-13(2,3)12-6-4-5-10(7-12)11-8-14-15-9-11;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-13(2,3)11-6-4-5-7-12(11)15-9-8-14-10-15/h6-11H,5H2,1-4H3;5*5-10H,1-4H3;4-9H,1-3H3;4-10H,1-3H3;4-9H,1-3H3,(H,14,15);2*4-10H,1-3H3
InChIKeyURMUXKOSZWQTJL-UHFFFAOYSA-N
MW2319.31 g/mol
LogP37.22
Rot. Bonds12

About 1-(2-tert-butyl-4-fluorophenyl)pyrazole;1-(3-tert-butyl-5-methylphenyl)pyrazole;1-(3-tert-butylphenyl)-4-ethylpyrazole;1-(2-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-3-methylpyrazole;bis(1-(3-tert-butylphenyl)-4-methylpyrazole);4-(3-tert-butylphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole

1-(2-tert-butyl-4-fluorophenyl)pyrazole;1-(3-tert-butyl-5-methylphenyl)pyrazole;1-(3-tert-butylphenyl)-4-ethylpyrazole;1-(2-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-3-methylpyrazole;bis(1-(3-tert-butylphenyl)-4-methylpyrazole);4-(3-tert-butylphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole (PubChem CID 161173566) has the molecular formula C150H189FN22 and a molecular weight of 2319.31 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-fluorophenyl)pyrazole;1-(3-tert-butyl-5-methylphenyl)pyrazole;1-(3-tert-butylphenyl)-4-ethylpyrazole;1-(2-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-3-methylpyrazole;bis(1-(3-tert-butylphenyl)-4-methylpyrazole);4-(3-tert-butylphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name1-(2-tert-butyl-4-fluorophenyl)pyrazole;1-(3-tert-butyl-5-methylphenyl)pyrazole;1-(3-tert-butylphenyl)-4-ethylpyrazole;1-(2-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-3-methylpyrazole;bis(1-(3-tert-butylphenyl)-4-methylpyrazole);4-(3-tert-butylphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole
PubChem CID161173566
Molecular FormulaC150H189FN22
Molecular Weight2319.31 g/mol
Exact Mass2317.54
IUPAC Name1-(2-tert-butyl-4-fluorophenyl)pyrazole;1-(3-tert-butyl-5-methylphenyl)pyrazole;1-(3-tert-butylphenyl)-4-ethylpyrazole;1-(2-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-3-methylpyrazole;bis(1-(3-tert-butylphenyl)-4-methylpyrazole);4-(3-tert-butylphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole
SMILESCC(C)(C)c1cc(F)ccc1-n1cccn1.CC(C)(C)c1cccc(-c2cn[nH]c2)c1.CC(C)(C)c1cccc(-n2cccn2)c1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1ccccc1-n1ccnc1.CCc1cnn(-c2cccc(C(C)(C)C)c2)c1.Cc1cc(-n2cccn2)cc(C(C)(C)C)c1.Cc1ccn(-c2cccc(C(C)(C)C)c2)n1.Cc1cnn(-c2cccc(C(C)(C)C)c2)c1.Cc1cnn(-c2cccc(C(C)(C)C)c2)c1.Cn1cc(-c2cccc(C(C)(C)C)c2)cn1
InChIInChI=1S/C15H20N2.5C14H18N2.C13H15FN2.4C13H16N2/c1-5-12-10-16-17(11-12)14-8-6-7-13(9-14)15(2,3)4;1-14(2,3)13-7-5-6-11(8-13)12-9-15-16(4)10-12;2*1-11-9-15-16(10-11)13-7-5-6-12(8-13)14(2,3)4;1-11-8-12(14(2,3)4)10-13(9-11)16-7-5-6-15-16;1-11-8-9-16(15-11)13-7-5-6-12(10-13)14(2,3)4;1-13(2,3)11-9-10(14)5-6-12(11)16-8-4-7-15-16;1-13(2,3)11-6-4-7-12(10-11)15-9-5-8-14-15;1-13(2,3)12-6-4-5-10(7-12)11-8-14-15-9-11;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-13(2,3)11-6-4-5-7-12(11)15-9-8-14-10-15/h6-11H,5H2,1-4H3;5*5-10H,1-4H3;4-9H,1-3H3;4-10H,1-3H3;4-9H,1-3H3,(H,14,15);2*4-10H,1-3H3
InChIKeyURMUXKOSZWQTJL-UHFFFAOYSA-N
XLogP37.22
TPSA206.88 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002319.31
LogP ≤ 537.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 1-(2-tert-butyl-4-fluorophenyl)pyrazole;1-(3-tert-butyl-5-methylphenyl)pyrazole;1-(3-tert-butylphenyl)-4-ethylpyrazole;1-(2-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-3-methylpyrazole;bis(1-(3-tert-butylphenyl)-4-methylpyrazole);4-(3-tert-butylphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-fluorophenyl)pyrazole;1-(3-tert-butyl-5-methylphenyl)pyrazole;1-(3-tert-butylphenyl)-4-ethylpyrazole;1-(2-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-3-methylpyrazole;bis(1-(3-tert-butylphenyl)-4-methylpyrazole);4-(3-tert-butylphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole?
The IUPAC name of 1-(2-tert-butyl-4-fluorophenyl)pyrazole;1-(3-tert-butyl-5-methylphenyl)pyrazole;1-(3-tert-butylphenyl)-4-ethylpyrazole;1-(2-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-3-methylpyrazole;bis(1-(3-tert-butylphenyl)-4-methylpyrazole);4-(3-tert-butylphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole (CID 161173566) is 1-(2-tert-butyl-4-fluorophenyl)pyrazole;1-(3-tert-butyl-5-methylphenyl)pyrazole;1-(3-tert-butylphenyl)-4-ethylpyrazole;1-(2-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-3-methylpyrazole;bis(1-(3-tert-butylphenyl)-4-methylpyrazole);4-(3-tert-butylphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole.
What is the SMILES notation for 1-(2-tert-butyl-4-fluorophenyl)pyrazole;1-(3-tert-butyl-5-methylphenyl)pyrazole;1-(3-tert-butylphenyl)-4-ethylpyrazole;1-(2-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-3-methylpyrazole;bis(1-(3-tert-butylphenyl)-4-methylpyrazole);4-(3-tert-butylphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole?
The canonical SMILES for 1-(2-tert-butyl-4-fluorophenyl)pyrazole;1-(3-tert-butyl-5-methylphenyl)pyrazole;1-(3-tert-butylphenyl)-4-ethylpyrazole;1-(2-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-3-methylpyrazole;bis(1-(3-tert-butylphenyl)-4-methylpyrazole);4-(3-tert-butylphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole is CC(C)(C)c1cc(F)ccc1-n1cccn1.CC(C)(C)c1cccc(-c2cn[nH]c2)c1.CC(C)(C)c1cccc(-n2cccn2)c1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1ccccc1-n1ccnc1.CCc1cnn(-c2cccc(C(C)(C)C)c2)c1.Cc1cc(-n2cccn2)cc(C(C)(C)C)c1.Cc1ccn(-c2cccc(C(C)(C)C)c2)n1.Cc1cnn(-c2cccc(C(C)(C)C)c2)c1.Cc1cnn(-c2cccc(C(C)(C)C)c2)c1.Cn1cc(-c2cccc(C(C)(C)C)c2)cn1.
What is the InChIKey of 1-(2-tert-butyl-4-fluorophenyl)pyrazole;1-(3-tert-butyl-5-methylphenyl)pyrazole;1-(3-tert-butylphenyl)-4-ethylpyrazole;1-(2-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-3-methylpyrazole;bis(1-(3-tert-butylphenyl)-4-methylpyrazole);4-(3-tert-butylphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole?
The InChIKey is URMUXKOSZWQTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.5C14H18N2.C13H15FN2.4C13H16N2/c1-5-12-10-16-17(11-12)14-8-6-7-13(9-14)15(2,3)4;1-14(2,3)13-7-5-6-11(8-13)12-9-15-16(4)10-12;2*1-11-9-15-16(10-11)13-7-5-6-12(8-13)14(2,3)4;1-11-8-12(14(2,3)4)10-13(9-11)16-7-5-6-15-16;1-11-8-9-16(15-11)13-7-5-6-12(10-13)14(2,3)4;1-13(2,3)11-9-10(14)5-6-12(11)16-8-4-7-15-16;1-13(2,3)11-6-4-7-12(10-11)15-9-5-8-14-15;1-13(2,3)12-6-4-5-10(7-12)11-8-14-15-9-11;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-13(2,3)11-6-4-5-7-12(11)15-9-8-14-10-15/h6-11H,5H2,1-4H3;5*5-10H,1-4H3;4-9H,1-3H3;4-10H,1-3H3;4-9H,1-3H3,(H,14,15);2*4-10H,1-3H3.
What are the key properties of 1-(2-tert-butyl-4-fluorophenyl)pyrazole;1-(3-tert-butyl-5-methylphenyl)pyrazole;1-(3-tert-butylphenyl)-4-ethylpyrazole;1-(2-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-3-methylpyrazole;bis(1-(3-tert-butylphenyl)-4-methylpyrazole);4-(3-tert-butylphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole?
1-(2-tert-butyl-4-fluorophenyl)pyrazole;1-(3-tert-butyl-5-methylphenyl)pyrazole;1-(3-tert-butylphenyl)-4-ethylpyrazole;1-(2-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-3-methylpyrazole;bis(1-(3-tert-butylphenyl)-4-methylpyrazole);4-(3-tert-butylphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole has a molecular weight of 2319.31 g/mol, XLogP of 37.22, 12 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-fluorophenyl)pyrazole;1-(3-tert-butyl-5-methylphenyl)pyrazole;1-(3-tert-butylphenyl)-4-ethylpyrazole;1-(2-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)-3-methylpyrazole;bis(1-(3-tert-butylphenyl)-4-methylpyrazole);4-(3-tert-butylphenyl)-1-methylpyrazole;1-(3-tert-butylphenyl)pyrazole;4-(3-tert-butylphenyl)-1H-pyrazole is sourced from PubChem (CID 161173566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).