1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea

C23H24N6O — CID 112825576

IUPAC1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H24N6O/c1-17-22(18(2)29(27-17)16-19-7-4-3-5-8-19)15-24-23(30)26-20-9-11-21(12-10-20)28-14-6-13-25-28/h3-14H,15-16H2,1-2H3,(H2,24,26,30)
InChIKeyDEPBNLZHVXPXFQ-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.06
Rot. Bonds6

About 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea

1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea (PubChem CID 112825576) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea
PubChem CID112825576
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H24N6O/c1-17-22(18(2)29(27-17)16-19-7-4-3-5-8-19)15-24-23(30)26-20-9-11-21(12-10-20)28-14-6-13-25-28/h3-14H,15-16H2,1-2H3,(H2,24,26,30)
InChIKeyDEPBNLZHVXPXFQ-UHFFFAOYSA-N
XLogP4.06
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea 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

1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-chlorophenyl)urea
CID 27870285
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]urea
CID 78879963
1-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 48519340
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)urea
CID 27870291
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 72907928
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
1-(1,3-benzothiazol-2-yl)-3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 41439102
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-ethylphenyl)urea
CID 20964106
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol
CID 110905750
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 86987728

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea (CID 112825576) is 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea?
The InChIKey is DEPBNLZHVXPXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-17-22(18(2)29(27-17)16-19-7-4-3-5-8-19)15-24-23(30)26-20-9-11-21(12-10-20)28-14-6-13-25-28/h3-14H,15-16H2,1-2H3,(H2,24,26,30).
What are the key properties of 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea?
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea has a molecular weight of 400.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 112825576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).