1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea

C12H12F2N4O — CID 104620412

IUPAC1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
SMILESCCc1cc(NC(=O)Nc2ccc(F)cc2F)n[nH]1
InChIInChI=1S/C12H12F2N4O/c1-2-8-6-11(18-17-8)16-12(19)15-10-4-3-7(13)5-9(10)14/h3-6H,2H2,1H3,(H3,15,16,17,18,19)
InChIKeyWKBSKNTXZKJDCB-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.89
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea

1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea (PubChem CID 104620412) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
PubChem CID104620412
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
SMILESCCc1cc(NC(=O)Nc2ccc(F)cc2F)n[nH]1
InChIInChI=1S/C12H12F2N4O/c1-2-8-6-11(18-17-8)16-12(19)15-10-4-3-7(13)5-9(10)14/h3-6H,2H2,1H3,(H3,15,16,17,18,19)
InChIKeyWKBSKNTXZKJDCB-UHFFFAOYSA-N
XLogP2.89
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide
CID 112697504
1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 122147106
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620378
2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 112698162
1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea
CID 104620541
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207
1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea
CID 970790
1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea
CID 122301865
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 46859658

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea (CID 104620412) is 1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea is CCc1cc(NC(=O)Nc2ccc(F)cc2F)n[nH]1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea?
The InChIKey is WKBSKNTXZKJDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-2-8-6-11(18-17-8)16-12(19)15-10-4-3-7(13)5-9(10)14/h3-6H,2H2,1H3,(H3,15,16,17,18,19).
What are the key properties of 1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea?
1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea has a molecular weight of 266.25 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 104620412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).