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

C24H26N4 — CID 47012747

IUPAC1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
SMILESCC(C)(C)c1ccc(Cn2cc(-c3cnn(Cc4ccccc4)c3)cn2)cc1
InChIInChI=1S/C24H26N4/c1-24(2,3)23-11-9-20(10-12-23)16-28-18-22(14-26-28)21-13-25-27(17-21)15-19-7-5-4-6-8-19/h4-14,17-18H,15-16H2,1-3H3
InChIKeyDSMWQDYWOUAKBY-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.14
Rot. Bonds5

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

1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole (PubChem CID 47012747) has the molecular formula C24H26N4 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole.

Molecular Properties

Compound Name1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
PubChem CID47012747
Molecular FormulaC24H26N4
Molecular Weight370.50 g/mol
Exact Mass370.22
IUPAC Name1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
SMILESCC(C)(C)c1ccc(Cn2cc(-c3cnn(Cc4ccccc4)c3)cn2)cc1
InChIInChI=1S/C24H26N4/c1-24(2,3)23-11-9-20(10-12-23)16-28-18-22(14-26-28)21-13-25-27(17-21)15-19-7-5-4-6-8-19/h4-14,17-18H,15-16H2,1-3H3
InChIKeyDSMWQDYWOUAKBY-UHFFFAOYSA-N
XLogP5.14
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole
CID 47012731
[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol
CID 55109077
N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine
CID 62771701
4-(4-tert-butylphenyl)-1-ethylpyrazole
CID 126653145
[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]boronic acid
CID 62770459
2-(1-benzylpyrazol-4-yl)aniline
CID 63338467
6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 143183374
4-[(4-phenylpyrazol-1-yl)methyl]benzenecarbothioamide
CID 62770269
1-(2,2-dimethylpropyl)-4-phenylpyrazole
CID 149052021
4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
CID 155787800
1-benzyl-4-[4-(4-chlorobut-1-en-2-yl)phenyl]pyrazole
CID 141193954
methyl 4-(1-benzylpyrazol-4-yl)-5-chlorothiophene-2-carboxylate
CID 68761823

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole?
The IUPAC name of 1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole (CID 47012747) is 1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole.
What is the SMILES notation for 1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole?
The canonical SMILES for 1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole is CC(C)(C)c1ccc(Cn2cc(-c3cnn(Cc4ccccc4)c3)cn2)cc1.
What is the InChIKey of 1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole?
The InChIKey is DSMWQDYWOUAKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4/c1-24(2,3)23-11-9-20(10-12-23)16-28-18-22(14-26-28)21-13-25-27(17-21)15-19-7-5-4-6-8-19/h4-14,17-18H,15-16H2,1-3H3.
What are the key properties of 1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole?
1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole has a molecular weight of 370.50 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole is sourced from PubChem (CID 47012747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).