1-[3-(4-bromo-1-methylpyrazol-5-yl)-5-(dimethylamino)phenyl]-3-(4-fluorophenyl)urea

C19H19BrFN5O — CID 10216672

IUPAC1-[3-(4-bromo-1-methylpyrazol-5-yl)-5-(dimethylamino)phenyl]-3-(4-fluorophenyl)urea
SMILESCN(C)c1cc(NC(=O)Nc2ccc(F)cc2)cc(-c2c(Br)cnn2C)c1
InChIInChI=1S/C19H19BrFN5O/c1-25(2)16-9-12(18-17(20)11-22-26(18)3)8-15(10-16)24-19(27)23-14-6-4-13(21)5-7-14/h4-11H,1-3H3,(H2,23,24,27)
InChIKeyNCMNGJAZTHKKMQ-UHFFFAOYSA-N
MW432.30 g/mol
LogP4.70
Rot. Bonds4

About 1-[3-(4-bromo-1-methylpyrazol-5-yl)-5-(dimethylamino)phenyl]-3-(4-fluorophenyl)urea

1-[3-(4-bromo-1-methylpyrazol-5-yl)-5-(dimethylamino)phenyl]-3-(4-fluorophenyl)urea (PubChem CID 10216672) has the molecular formula C19H19BrFN5O and a molecular weight of 432.30 g/mol. Its IUPAC name is 1-[3-(4-bromo-1-methylpyrazol-5-yl)-5-(dimethylamino)phenyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[3-(4-bromo-1-methylpyrazol-5-yl)-5-(dimethylamino)phenyl]-3-(4-fluorophenyl)urea
PubChem CID10216672
Molecular FormulaC19H19BrFN5O
Molecular Weight432.30 g/mol
Exact Mass431.08
IUPAC Name1-[3-(4-bromo-1-methylpyrazol-5-yl)-5-(dimethylamino)phenyl]-3-(4-fluorophenyl)urea
SMILESCN(C)c1cc(NC(=O)Nc2ccc(F)cc2)cc(-c2c(Br)cnn2C)c1
InChIInChI=1S/C19H19BrFN5O/c1-25(2)16-9-12(18-17(20)11-22-26(18)3)8-15(10-16)24-19(27)23-14-6-4-13(21)5-7-14/h4-11H,1-3H3,(H2,23,24,27)
InChIKeyNCMNGJAZTHKKMQ-UHFFFAOYSA-N
XLogP4.70
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.30
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)phenyl)-3-(4-chlorophenyl)urea
CID 9822580
1-[(4-bromophenyl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 24768217
1-[(4-bromophenyl)methyl]-3-(2-methyl-2H-indazol-4-yl)urea
CID 24768218
1-(4-Bromo-3-methylphenyl)-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-YL)ethyl]urea
CID 16028514
1-[3-(4-Bromo-1-methylpyrazol-3-yl)phenyl]-3-(4-chlorophenyl)urea
CID 9822581
N-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483861
N-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484031
3-(4-fluorophenyl)-N-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484307
1-(1-Benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea
CID 126696281
3-(4-bromo-2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 9978021
1-[3-(1-Methylpyrazol-3-yl)phenyl]-3-phenylurea
CID 2819938
1-Methyl-3-(3-methylphenyl)-1-[(1-phenylpyrazol-4-yl)methyl]urea
CID 17510916

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromo-1-methylpyrazol-5-yl)-5-(dimethylamino)phenyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[3-(4-bromo-1-methylpyrazol-5-yl)-5-(dimethylamino)phenyl]-3-(4-fluorophenyl)urea (CID 10216672) is 1-[3-(4-bromo-1-methylpyrazol-5-yl)-5-(dimethylamino)phenyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[3-(4-bromo-1-methylpyrazol-5-yl)-5-(dimethylamino)phenyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[3-(4-bromo-1-methylpyrazol-5-yl)-5-(dimethylamino)phenyl]-3-(4-fluorophenyl)urea is CN(C)c1cc(NC(=O)Nc2ccc(F)cc2)cc(-c2c(Br)cnn2C)c1.
What is the InChIKey of 1-[3-(4-bromo-1-methylpyrazol-5-yl)-5-(dimethylamino)phenyl]-3-(4-fluorophenyl)urea?
The InChIKey is NCMNGJAZTHKKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFN5O/c1-25(2)16-9-12(18-17(20)11-22-26(18)3)8-15(10-16)24-19(27)23-14-6-4-13(21)5-7-14/h4-11H,1-3H3,(H2,23,24,27).
What are the key properties of 1-[3-(4-bromo-1-methylpyrazol-5-yl)-5-(dimethylamino)phenyl]-3-(4-fluorophenyl)urea?
1-[3-(4-bromo-1-methylpyrazol-5-yl)-5-(dimethylamino)phenyl]-3-(4-fluorophenyl)urea has a molecular weight of 432.30 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromo-1-methylpyrazol-5-yl)-5-(dimethylamino)phenyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 10216672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).