1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)urea

C11H10BrFN4O — CID 2808953

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)urea
SMILESCn1ncc(Br)c1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H10BrFN4O/c1-17-10(9(12)6-14-17)16-11(18)15-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,15,16,18)
InChIKeyNVBYPTLZDGOIHS-UHFFFAOYSA-N
MW313.13 g/mol
LogP2.97
Rot. Bonds2

About 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)urea

1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)urea (PubChem CID 2808953) has the molecular formula C11H10BrFN4O and a molecular weight of 313.13 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)urea
PubChem CID2808953
Molecular FormulaC11H10BrFN4O
Molecular Weight313.13 g/mol
Exact Mass312.00
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)urea
SMILESCn1ncc(Br)c1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H10BrFN4O/c1-17-10(9(12)6-14-17)16-11(18)15-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,15,16,18)
InChIKeyNVBYPTLZDGOIHS-UHFFFAOYSA-N
XLogP2.97
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]urea
CID 9361722
1-(2-Methylpyrazol-3-yl)-3-phenylurea
CID 2808767
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808768
N-(1-Phenyl-1H-pyrazol-3-yl)acetamide
CID 594242
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-3-yl)urea
CID 2807713
1-(3-Bromophenyl)-3-(2-methylpyrazol-3-yl)urea
CID 2808860
N-(1-methyl-1H-pyrazol-5-yl)-N'-(3-nitrophenyl)urea
CID 2808865
1-(4-Bromo-1-methylpyrazol-5-yl)-3-(2-ethyl-6-methylphenyl)urea
CID 2808950
N-[3-(tert-butyl)-1-methyl-1H-pyrazol-5-yl]-N'-(2,4-difluorophenyl)urea
CID 2811751
1-(2,4-difluorophenyl)-3-(1,3-dimethyl-1H-pyrazol-5-yl)urea
CID 2811437
N-(1-methyl-1H-pyrazol-3-yl)-N'-(3-nitrophenyl)urea
CID 2954655
1-(3,4-Difluorophenyl)-3-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 71812406

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)urea (CID 2808953) is 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)urea is Cn1ncc(Br)c1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)urea?
The InChIKey is NVBYPTLZDGOIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4O/c1-17-10(9(12)6-14-17)16-11(18)15-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,15,16,18).
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)urea?
1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)urea has a molecular weight of 313.13 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 2808953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).