1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea

C19H20N4O2 — CID 2811727

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea
SMILESCc1cc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)n(C)n1
InChIInChI=1S/C19H20N4O2/c1-14-12-18(23(2)22-14)21-19(24)20-16-8-10-17(11-9-16)25-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,20,21,24)
InChIKeyHOJHJCROGNNQFF-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.95
Rot. Bonds5

About 1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea

1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea (PubChem CID 2811727) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea
PubChem CID2811727
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea
SMILESCc1cc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)n(C)n1
InChIInChI=1S/C19H20N4O2/c1-14-12-18(23(2)22-14)21-19(24)20-16-8-10-17(11-9-16)25-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,20,21,24)
InChIKeyHOJHJCROGNNQFF-UHFFFAOYSA-N
XLogP3.95
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)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-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea
CID 59381123
1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 39891220
5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide
CID 51998966
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
1-(4-methoxyphenyl)-3-(5-methyl-2-propylpyrazol-3-yl)urea
CID 39853401
1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61339833
2,4,5-trimethyl-N-(4-phenylmethoxyphenyl)benzamide
CID 100708399
2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide
CID 884766
(2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide
CID 124735239

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea (CID 2811727) is 1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea is Cc1cc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea?
The InChIKey is HOJHJCROGNNQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-12-18(23(2)22-14)21-19(24)20-16-8-10-17(11-9-16)25-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea?
1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea has a molecular weight of 336.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea is sourced from PubChem (CID 2811727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).