3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea

C14H18N4O2 — CID 111453132

IUPAC3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C14H18N4O2/c1-17(9-10-19)14(20)15-13-7-8-18(16-13)11-12-5-3-2-4-6-12/h2-8,19H,9-11H2,1H3,(H,15,16,20)
InChIKeyVGHSNLYTXMJEDX-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.39
Rot. Bonds5

About 3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea

3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea (PubChem CID 111453132) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea
PubChem CID111453132
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C14H18N4O2/c1-17(9-10-19)14(20)15-13-7-8-18(16-13)11-12-5-3-2-4-6-12/h2-8,19H,9-11H2,1H3,(H,15,16,20)
InChIKeyVGHSNLYTXMJEDX-UHFFFAOYSA-N
XLogP1.39
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea 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-(1-benzylpyrazol-3-yl)-1-(1-cyclopropylethyl)-1-methylurea
CID 75493458
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
N,N'-bis(1-benzylpyrazol-3-yl)-3-methylhexanediamide
CID 112837683
1-(1-benzylpyrazol-3-yl)-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19395285
N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47066196
1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 111103626
1-(1-benzylpyrazol-3-yl)-3-(2-ethylphenyl)thiourea
CID 17268305
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649
N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 4773521
1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 17266369
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea (CID 111453132) is 3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea is CN(CCO)C(=O)Nc1ccn(Cc2ccccc2)n1.
What is the InChIKey of 3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea?
The InChIKey is VGHSNLYTXMJEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17(9-10-19)14(20)15-13-7-8-18(16-13)11-12-5-3-2-4-6-12/h2-8,19H,9-11H2,1H3,(H,15,16,20).
What are the key properties of 3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea?
3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea has a molecular weight of 274.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 111453132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).