3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea

C22H26N4O2 — CID 87007539

IUPAC3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea
SMILESCc1ccccc1OCCN(C)C(=O)NCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C22H26N4O2/c1-18-8-6-7-11-21(18)28-13-12-25(2)22(27)23-14-20-15-24-26(17-20)16-19-9-4-3-5-10-19/h3-11,15,17H,12-14,16H2,1-2H3,(H,23,27)
InChIKeyDAJLSARXVFHRPO-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.46
Rot. Bonds8

About 3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea

3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea (PubChem CID 87007539) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea
PubChem CID87007539
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea
SMILESCc1ccccc1OCCN(C)C(=O)NCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C22H26N4O2/c1-18-8-6-7-11-21(18)28-13-12-25(2)22(27)23-14-20-15-24-26(17-20)16-19-9-4-3-5-10-19/h3-11,15,17H,12-14,16H2,1-2H3,(H,23,27)
InChIKeyDAJLSARXVFHRPO-UHFFFAOYSA-N
XLogP3.46
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]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

3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea
CID 47015060
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
CID 47035459
(2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 27123609
3-[(1-benzylpyrazol-4-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-methylurea
CID 87007525
3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea
CID 27533745
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 86990135
4-(acetamidomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120176
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 90652784
N-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55897549
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide;dihydrochloride
CID 119695642

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea?
The IUPAC name of 3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea (CID 87007539) is 3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea.
What is the SMILES notation for 3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea?
The canonical SMILES for 3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea is Cc1ccccc1OCCN(C)C(=O)NCc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea?
The InChIKey is DAJLSARXVFHRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-18-8-6-7-11-21(18)28-13-12-25(2)22(27)23-14-20-15-24-26(17-20)16-19-9-4-3-5-10-19/h3-11,15,17H,12-14,16H2,1-2H3,(H,23,27).
What are the key properties of 3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea?
3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea has a molecular weight of 378.48 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea is sourced from PubChem (CID 87007539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).