1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole

C23H24N4 — CID 47012731

IUPAC1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole
SMILESCC(C)(C)c1ccc(Cn2cc(-c3cnn(-c4ccccc4)c3)cn2)cc1
InChIInChI=1S/C23H24N4/c1-23(2,3)21-11-9-18(10-12-21)15-26-16-19(13-24-26)20-14-25-27(17-20)22-7-5-4-6-8-22/h4-14,16-17H,15H2,1-3H3
InChIKeyQTPLXBRAGXIYAC-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.08
Rot. Bonds4

About 1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole

1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole (PubChem CID 47012731) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole
PubChem CID47012731
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole
SMILESCC(C)(C)c1ccc(Cn2cc(-c3cnn(-c4ccccc4)c3)cn2)cc1
InChIInChI=1S/C23H24N4/c1-23(2,3)21-11-9-18(10-12-21)15-26-16-19(13-24-26)20-14-25-27(17-20)22-7-5-4-6-8-22/h4-14,16-17H,15H2,1-3H3
InChIKeyQTPLXBRAGXIYAC-UHFFFAOYSA-N
XLogP5.08
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
CID 47012747
2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol
CID 47012675
2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid
CID 82039922
[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol
CID 55109077
N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine
CID 62771701
2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine
CID 82039913
1-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxylic acid
CID 43565278
4-(4-tert-butylphenyl)-1-ethylpyrazole
CID 126653145
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
1-[4-(bromomethyl)phenyl]-4-phenylpyrazole
CID 107086143
[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]boronic acid
CID 62770459
4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine
CID 82541519

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole (CID 47012731) is 1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole is CC(C)(C)c1ccc(Cn2cc(-c3cnn(-c4ccccc4)c3)cn2)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole?
The InChIKey is QTPLXBRAGXIYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4/c1-23(2,3)21-11-9-18(10-12-21)15-26-16-19(13-24-26)20-14-25-27(17-20)22-7-5-4-6-8-22/h4-14,16-17H,15H2,1-3H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole?
1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole has a molecular weight of 356.47 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole is sourced from PubChem (CID 47012731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).