1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea

C25H26N4O2 — CID 2957512

IUPAC1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1c(C)nn(Cc2cccc3ccccc23)c1C
InChIInChI=1S/C25H26N4O2/c1-16-12-13-23(31-4)22(14-16)26-25(30)27-24-17(2)28-29(18(24)3)15-20-10-7-9-19-8-5-6-11-21(19)20/h5-14H,15H2,1-4H3,(H2,26,27,30)
InChIKeyGJJQLXKHVPUSJO-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.66
Rot. Bonds5

About 1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea

1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 2957512) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID2957512
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1c(C)nn(Cc2cccc3ccccc23)c1C
InChIInChI=1S/C25H26N4O2/c1-16-12-13-23(31-4)22(14-16)26-25(30)27-24-17(2)28-29(18(24)3)15-20-10-7-9-19-8-5-6-11-21(19)20/h5-14H,15H2,1-4H3,(H2,26,27,30)
InChIKeyGJJQLXKHVPUSJO-UHFFFAOYSA-N
XLogP5.66
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)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-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 17380607
N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide
CID 1225812
3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 2986824
1-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-methylphenyl)urea
CID 17379899
1-(2-chlorophenyl)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17374979
N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19506023
5-chloro-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide
CID 19408223
1-(2-chloro-4-methylphenyl)-3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]urea
CID 17183233
trans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 1272887
1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 16803764
1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea
CID 4516972
N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19503785

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea (CID 2957512) is 1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)Nc1c(C)nn(Cc2cccc3ccccc23)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is GJJQLXKHVPUSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-16-12-13-23(31-4)22(14-16)26-25(30)27-24-17(2)28-29(18(24)3)15-20-10-7-9-19-8-5-6-11-21(19)20/h5-14H,15H2,1-4H3,(H2,26,27,30).
What are the key properties of 1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea?
1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 414.51 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 2957512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).