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

C18H17ClN4O2 — CID 1098728

IUPAC1-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea
SMILESCc1c(NC(=O)Nc2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H17ClN4O2/c1-12-16(21-18(25)20-14-8-6-7-13(19)11-14)17(24)23(22(12)2)15-9-4-3-5-10-15/h3-11H,1-2H3,(H2,20,21,25)
InChIKeyLYGPQBMQOCCMSG-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.78
Rot. Bonds3

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

1-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea (PubChem CID 1098728) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea
PubChem CID1098728
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name1-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea
SMILESCc1c(NC(=O)Nc2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H17ClN4O2/c1-12-16(21-18(25)20-14-8-6-7-13(19)11-14)17(24)23(22(12)2)15-9-4-3-5-10-15/h3-11H,1-2H3,(H2,20,21,25)
InChIKeyLYGPQBMQOCCMSG-UHFFFAOYSA-N
XLogP3.78
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Chlorophenyl)-1-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea
CID 24776341
1-(2,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea
CID 2211632
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-(3,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea
CID 980623
N-(2-chlorophenyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea
CID 2054164
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-(3-fluorophenyl)urea
CID 287146
N-(3-chlorophenyl)-N'-(2,4-dihydroxypyrimidin-5-yl)urea
CID 22433670
3-(4-Antipyrinyl)-1-phenyl-2-thiourea
CID 679920
1-(2-chlorophenyl)-3-[1-methyl-5-(1-methylethyl)-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl]urea
CID 24776342
3-chloro-4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-1-phenyl-1H-pyrrole-2,5-dione
CID 1177165

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea (CID 1098728) is 1-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea is Cc1c(NC(=O)Nc2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea?
The InChIKey is LYGPQBMQOCCMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-12-16(21-18(25)20-14-8-6-7-13(19)11-14)17(24)23(22(12)2)15-9-4-3-5-10-15/h3-11H,1-2H3,(H2,20,21,25).
What are the key properties of 1-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea?
1-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea has a molecular weight of 356.81 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea is sourced from PubChem (CID 1098728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).