1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea

C22H19BrN4O2 — CID 11775306

IUPAC1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea
SMILESCOc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1-c1c(Br)cnn1C
InChIInChI=1S/C22H19BrN4O2/c1-27-21(19(23)13-24-27)18-12-17(9-10-20(18)29-2)26-22(28)25-16-8-7-14-5-3-4-6-15(14)11-16/h3-13H,1-2H3,(H2,25,26,28)
InChIKeyKAFGOCVYMMREPV-UHFFFAOYSA-N
MW451.32 g/mol
LogP5.66
Rot. Bonds4

About 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea

1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea (PubChem CID 11775306) has the molecular formula C22H19BrN4O2 and a molecular weight of 451.32 g/mol. Its IUPAC name is 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea
PubChem CID11775306
Molecular FormulaC22H19BrN4O2
Molecular Weight451.32 g/mol
Exact Mass450.07
IUPAC Name1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea
SMILESCOc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1-c1c(Br)cnn1C
InChIInChI=1S/C22H19BrN4O2/c1-27-21(19(23)13-24-27)18-12-17(9-10-20(18)29-2)26-22(28)25-16-8-7-14-5-3-4-6-15(14)11-16/h3-13H,1-2H3,(H2,25,26,28)
InChIKeyKAFGOCVYMMREPV-UHFFFAOYSA-N
XLogP5.66
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.32
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(3-methylphenyl)urea
CID 137492363
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(4-chloro-2-hydroxyphenyl)urea
CID 23139514
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide
CID 24815312
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea
CID 11545269
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-[4-chloro-2-[3-(dimethylamino)propyl-methylamino]phenyl]urea
CID 23139498
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide
CID 24816104
1-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 11654406
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea
CID 143265423
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-ethoxyphenyl]-3-(2,4-difluorophenyl)urea
CID 91217921
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-pyridin-4-ylethoxy)phenyl]-3-(4-chlorophenyl)urea
CID 11548218
1-[4-[2-(azepan-1-yl)ethoxy]-3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-(4-chlorophenyl)urea
CID 66928386
N-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide
CID 68956095

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea?
The IUPAC name of 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea (CID 11775306) is 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea is COc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1-c1c(Br)cnn1C.
What is the InChIKey of 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea?
The InChIKey is KAFGOCVYMMREPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O2/c1-27-21(19(23)13-24-27)18-12-17(9-10-20(18)29-2)26-22(28)25-16-8-7-14-5-3-4-6-15(14)11-16/h3-13H,1-2H3,(H2,25,26,28).
What are the key properties of 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea?
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea has a molecular weight of 451.32 g/mol, XLogP of 5.66, 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)-4-methoxyphenyl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 11775306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).