1-(3,5-dimethoxyphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea

C24H25N5O3 — CID 22580593

IUPAC1-(3,5-dimethoxyphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea
SMILESCOc1cc(NC(=O)NCc2c(C)nn(-c3ccccc3)c2-n2cccc2)cc(OC)c1
InChIInChI=1S/C24H25N5O3/c1-17-22(16-25-24(30)26-18-13-20(31-2)15-21(14-18)32-3)23(28-11-7-8-12-28)29(27-17)19-9-5-4-6-10-19/h4-15H,16H2,1-3H3,(H2,25,26,30)
InChIKeyGUGUESKJUIZOJF-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.31
Rot. Bonds7

About 1-(3,5-dimethoxyphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea

1-(3,5-dimethoxyphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea (PubChem CID 22580593) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea
PubChem CID22580593
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea
SMILESCOc1cc(NC(=O)NCc2c(C)nn(-c3ccccc3)c2-n2cccc2)cc(OC)c1
InChIInChI=1S/C24H25N5O3/c1-17-22(16-25-24(30)26-18-13-20(31-2)15-21(14-18)32-3)23(28-11-7-8-12-28)29(27-17)19-9-5-4-6-10-19/h4-15H,16H2,1-3H3,(H2,25,26,30)
InChIKeyGUGUESKJUIZOJF-UHFFFAOYSA-N
XLogP4.31
TPSA82.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3,5-dimethoxyphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]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-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 22580594
ethyl 3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylamino]-3-oxopropanoate
CID 46261291
N-(3,5-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915121
1-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92752236
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[3-(4-methoxyphenyl)propyl]urea
CID 60543579
N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide
CID 50839920
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea
CID 60595873
1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea
CID 3367355
N-[(2,5-dimethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide
CID 50798836
N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892655
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid
CID 117124014
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9377721

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea (CID 22580593) is 1-(3,5-dimethoxyphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea is COc1cc(NC(=O)NCc2c(C)nn(-c3ccccc3)c2-n2cccc2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea?
The InChIKey is GUGUESKJUIZOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-17-22(16-25-24(30)26-18-13-20(31-2)15-21(14-18)32-3)23(28-11-7-8-12-28)29(27-17)19-9-5-4-6-10-19/h4-15H,16H2,1-3H3,(H2,25,26,30).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea?
1-(3,5-dimethoxyphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea has a molecular weight of 431.50 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 22580593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).