1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole

C25H28N4 — CID 13433139

IUPAC1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
SMILESCc1nn(Cc2ccccc2)c(C)c1Cc1c(C)nn(Cc2ccccc2)c1C
InChIInChI=1S/C25H28N4/c1-18-24(20(3)28(26-18)16-22-11-7-5-8-12-22)15-25-19(2)27-29(21(25)4)17-23-13-9-6-10-14-23/h5-14H,15-17H2,1-4H3
InChIKeySQSOJOGJTXBHMR-UHFFFAOYSA-N
MW384.53 g/mol
LogP5.00
Rot. Bonds6

About 1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole

1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole (PubChem CID 13433139) has the molecular formula C25H28N4 and a molecular weight of 384.53 g/mol. Its IUPAC name is 1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
PubChem CID13433139
Molecular FormulaC25H28N4
Molecular Weight384.53 g/mol
Exact Mass384.23
IUPAC Name1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
SMILESCc1nn(Cc2ccccc2)c(C)c1Cc1c(C)nn(Cc2ccccc2)c1C
InChIInChI=1S/C25H28N4/c1-18-24(20(3)28(26-18)16-22-11-7-5-8-12-22)15-25-19(2)27-29(21(25)4)17-23-13-9-6-10-14-23/h5-14H,15-17H2,1-4H3
InChIKeySQSOJOGJTXBHMR-UHFFFAOYSA-N
XLogP5.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.53
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzoic acid
CID 84612805
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,3-dimethylguanidine
CID 110914086
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-tert-butylbenzamide
CID 8943315
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
(1-benzyl-3,5-dimethylpyrazol-4-yl)-phenyliodanium
CID 56760721
1-benzyl-3,5-dimethyl-4-phenyliodanuidylpyrazole
CID 53491199
1-benzyl-4-(1-chloro-2,2,2-trifluoroethyl)-3,5-dimethylpyrazole
CID 142754162
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-tert-butyl-2-methylguanidine;hydroiodide
CID 110966957
3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 111469187
(1R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 27655607

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole (CID 13433139) is 1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole is Cc1nn(Cc2ccccc2)c(C)c1Cc1c(C)nn(Cc2ccccc2)c1C.
What is the InChIKey of 1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole?
The InChIKey is SQSOJOGJTXBHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4/c1-18-24(20(3)28(26-18)16-22-11-7-5-8-12-22)15-25-19(2)27-29(21(25)4)17-23-13-9-6-10-14-23/h5-14H,15-17H2,1-4H3.
What are the key properties of 1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole?
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole has a molecular weight of 384.53 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 13433139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).