1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(4-fluoro-3-pyrrol-1-ylphenyl)urea

C18H20FN5O — CID 71992198

IUPAC1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(4-fluoro-3-pyrrol-1-ylphenyl)urea
SMILESCCn1nc(C)c(NC(=O)Nc2ccc(F)c(-n3cccc3)c2)c1C
InChIInChI=1S/C18H20FN5O/c1-4-24-13(3)17(12(2)22-24)21-18(25)20-14-7-8-15(19)16(11-14)23-9-5-6-10-23/h5-11H,4H2,1-3H3,(H2,20,21,25)
InChIKeyNWLSEIWIWFZVQQ-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.09
Rot. Bonds4

About 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(4-fluoro-3-pyrrol-1-ylphenyl)urea

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(4-fluoro-3-pyrrol-1-ylphenyl)urea (PubChem CID 71992198) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(4-fluoro-3-pyrrol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(4-fluoro-3-pyrrol-1-ylphenyl)urea
PubChem CID71992198
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(4-fluoro-3-pyrrol-1-ylphenyl)urea
SMILESCCn1nc(C)c(NC(=O)Nc2ccc(F)c(-n3cccc3)c2)c1C
InChIInChI=1S/C18H20FN5O/c1-4-24-13(3)17(12(2)22-24)21-18(25)20-14-7-8-15(19)16(11-14)23-9-5-6-10-23/h5-11H,4H2,1-3H3,(H2,20,21,25)
InChIKeyNWLSEIWIWFZVQQ-UHFFFAOYSA-N
XLogP4.09
TPSA63.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(4-fluoro-3-pyrrol-1-ylphenyl)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-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea
CID 17378273
1-(4-chlorophenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17381589
1-(3-chlorophenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17381546
1-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-methylphenyl)urea
CID 17379899
1-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-fluorophenyl)urea
CID 35592263
1-(4-chlorophenyl)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 19447801
1-(4-ethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17374948
5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-2-fluoro-N-methylbenzamide
CID 56824177
1-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-methylphenyl)urea
CID 39854204
1-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-methylphenyl)urea
CID 17183630
1-(3,4-dichlorophenyl)-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea
CID 17379527
1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3,4-dimethylphenyl)urea
CID 17374961

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(4-fluoro-3-pyrrol-1-ylphenyl)urea?
The IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(4-fluoro-3-pyrrol-1-ylphenyl)urea (CID 71992198) is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(4-fluoro-3-pyrrol-1-ylphenyl)urea.
What is the SMILES notation for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(4-fluoro-3-pyrrol-1-ylphenyl)urea?
The canonical SMILES for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(4-fluoro-3-pyrrol-1-ylphenyl)urea is CCn1nc(C)c(NC(=O)Nc2ccc(F)c(-n3cccc3)c2)c1C.
What is the InChIKey of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(4-fluoro-3-pyrrol-1-ylphenyl)urea?
The InChIKey is NWLSEIWIWFZVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-4-24-13(3)17(12(2)22-24)21-18(25)20-14-7-8-15(19)16(11-14)23-9-5-6-10-23/h5-11H,4H2,1-3H3,(H2,20,21,25).
What are the key properties of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(4-fluoro-3-pyrrol-1-ylphenyl)urea?
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(4-fluoro-3-pyrrol-1-ylphenyl)urea has a molecular weight of 341.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(4-fluoro-3-pyrrol-1-ylphenyl)urea is sourced from PubChem (CID 71992198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).