1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)urea

C11H10ClFN4O — CID 970878

IUPAC1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H10ClFN4O/c1-17-5-4-10(16-17)15-11(18)14-7-2-3-9(13)8(12)6-7/h2-6H,1H3,(H2,14,15,16,18)
InChIKeyPVROAPTWRPILAR-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.86
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)urea

1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)urea (PubChem CID 970878) has the molecular formula C11H10ClFN4O and a molecular weight of 268.68 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)urea
PubChem CID970878
Molecular FormulaC11H10ClFN4O
Molecular Weight268.68 g/mol
Exact Mass268.05
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H10ClFN4O/c1-17-5-4-10(16-17)15-11(18)14-7-2-3-9(13)8(12)6-7/h2-6H,1H3,(H2,14,15,16,18)
InChIKeyPVROAPTWRPILAR-UHFFFAOYSA-N
XLogP2.86
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.86
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
1-(5-Tert-butyl-2-methyl-3-pyrazolyl)-3-(3,5-dichlorophenyl)urea
CID 2822406
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-3-yl)urea
CID 2807713
1-(2-Tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea
CID 2447447
N-(3-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 831809
1-(2,4-Dichlorophenyl)-3-(1-methyl-3-pyrazolyl)urea
CID 970792
N-(3-chloro-4-fluorophenyl)-3-(dimethylaminomethylideneamino)-1-methylpyrazole-4-carboxamide
CID 2799644
N-(1-methyl-1H-pyrazol-3-yl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 971096
1-(4-Bromo-1-methylpyrazol-5-yl)-3-phenylurea
CID 2808836
1-(2,3-Dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea
CID 2808879

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)urea (CID 970878) is 1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)urea is Cn1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is PVROAPTWRPILAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O/c1-17-5-4-10(16-17)15-11(18)14-7-2-3-9(13)8(12)6-7/h2-6H,1H3,(H2,14,15,16,18).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)urea?
1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 268.68 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 970878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).