1-(4-bromo-2-fluorophenyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea

C15H18BrFN4O — CID 20964126

IUPAC1-(4-bromo-2-fluorophenyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
SMILESCCn1nc(C)c(CNC(=O)Nc2ccc(Br)cc2F)c1C
InChIInChI=1S/C15H18BrFN4O/c1-4-21-10(3)12(9(2)20-21)8-18-15(22)19-14-6-5-11(16)7-13(14)17/h5-7H,4,8H2,1-3H3,(H2,18,19,22)
InChIKeyFCRXFJTUJNSRRL-UHFFFAOYSA-N
MW369.24 g/mol
LogP3.74
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea

1-(4-bromo-2-fluorophenyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea (PubChem CID 20964126) has the molecular formula C15H18BrFN4O and a molecular weight of 369.24 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
PubChem CID20964126
Molecular FormulaC15H18BrFN4O
Molecular Weight369.24 g/mol
Exact Mass368.06
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
SMILESCCn1nc(C)c(CNC(=O)Nc2ccc(Br)cc2F)c1C
InChIInChI=1S/C15H18BrFN4O/c1-4-21-10(3)12(9(2)20-21)8-18-15(22)19-14-6-5-11(16)7-13(14)17/h5-7H,4,8H2,1-3H3,(H2,18,19,22)
InChIKeyFCRXFJTUJNSRRL-UHFFFAOYSA-N
XLogP3.74
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-3-tert-butyl-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxamide
CID 72204684
N-(3-bromo-2-fluorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121443438
N-(2,4-difluorophenyl)-N'-[1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea
CID 2956297
1-[2-(Trifluoromethyl)phenyl]-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-YL)ethyl]urea
CID 16028480
1-(4-Bromo-3-methylphenyl)-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-YL)ethyl]urea
CID 16028514
1-[(4-Bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-(2,4-difluorophenyl)urea
CID 2819223
1-(4-Ethylphenyl)-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-YL)ethyl]urea
CID 16028440
1-[(1-Benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(2-fluorophenyl)methyl]urea
CID 17509958
1-[(3,5-Dimethyl-1-phenylpyrazol-4-yl)methyl]-3-pentylurea
CID 40035067
1-[1-(1,5-Dimethylpyrazol-4-yl)ethyl]-3-(2-fluorophenyl)urea
CID 45811864
1-(2-Bromo-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47223200
N-(p-fluorophenyl)methyl-4-[(3,5-dimethyl-1-pyrazolyl)methyl]-1-piperidinecarboxamide
CID 71781241

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea (CID 20964126) is 1-(4-bromo-2-fluorophenyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea is CCn1nc(C)c(CNC(=O)Nc2ccc(Br)cc2F)c1C.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea?
The InChIKey is FCRXFJTUJNSRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN4O/c1-4-21-10(3)12(9(2)20-21)8-18-15(22)19-14-6-5-11(16)7-13(14)17/h5-7H,4,8H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea?
1-(4-bromo-2-fluorophenyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea has a molecular weight of 369.24 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 20964126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).