1-(2,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea

C18H16F2N4O2 — CID 2211632

IUPAC1-(2,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea
SMILESCc1c(NC(=O)Nc2ccc(F)cc2F)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H16F2N4O2/c1-11-16(17(25)24(23(11)2)13-6-4-3-5-7-13)22-18(26)21-15-9-8-12(19)10-14(15)20/h3-10H,1-2H3,(H2,21,22,26)
InChIKeyXSZPMHFATGGTKJ-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.41
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea

1-(2,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea (PubChem CID 2211632) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea
PubChem CID2211632
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name1-(2,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea
SMILESCc1c(NC(=O)Nc2ccc(F)cc2F)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H16F2N4O2/c1-11-16(17(25)24(23(11)2)13-6-4-3-5-7-13)22-18(26)21-15-9-8-12(19)10-14(15)20/h3-10H,1-2H3,(H2,21,22,26)
InChIKeyXSZPMHFATGGTKJ-UHFFFAOYSA-N
XLogP3.41
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Acetylaminoantipyrine
CID 65743
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide
CID 903616
N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-(dimethylamino)propanamide
CID 107150
3-(4-Chlorophenyl)-1-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea
CID 24776341
2-Butenenitrile, 3-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-ylamino)-
CID 5364915
1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-phenylurea
CID 735751
N-(4-chlorophenyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea
CID 1367800
N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-methyl-N-phenylurea
CID 2945312
1,5-dimethyl-4-[[(E)-4-oxopent-2-en-2-yl]amino]-2-phenylpyrazol-3-one
CID 5532983
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-[4-(methylthio)phenyl]urea
CID 285404
N-(4-bromophenyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea
CID 1240119
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-(4-ethylphenyl)urea
CID 1292869

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea (CID 2211632) is 1-(2,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea is Cc1c(NC(=O)Nc2ccc(F)cc2F)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea?
The InChIKey is XSZPMHFATGGTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-11-16(17(25)24(23(11)2)13-6-4-3-5-7-13)22-18(26)21-15-9-8-12(19)10-14(15)20/h3-10H,1-2H3,(H2,21,22,26).
What are the key properties of 1-(2,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea?
1-(2,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea has a molecular weight of 358.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea is sourced from PubChem (CID 2211632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).