1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea

C12H12ClFN4O — CID 108813456

IUPAC1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(F)c(Cl)c2)nn1C
InChIInChI=1S/C12H12ClFN4O/c1-7-5-11(17-18(7)2)16-12(19)15-8-3-4-10(14)9(13)6-8/h3-6H,1-2H3,(H2,15,16,17,19)
InChIKeySVMJHGPTUPRPGA-UHFFFAOYSA-N
MW282.71 g/mol
LogP3.17
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea

1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea (PubChem CID 108813456) has the molecular formula C12H12ClFN4O and a molecular weight of 282.71 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea
PubChem CID108813456
Molecular FormulaC12H12ClFN4O
Molecular Weight282.71 g/mol
Exact Mass282.07
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(F)c(Cl)c2)nn1C
InChIInChI=1S/C12H12ClFN4O/c1-7-5-11(17-18(7)2)16-12(19)15-8-3-4-10(14)9(13)6-8/h3-6H,1-2H3,(H2,15,16,17,19)
InChIKeySVMJHGPTUPRPGA-UHFFFAOYSA-N
XLogP3.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea
CID 970486
1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
CID 108991868
1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 6465329
1-(3-chloro-4-fluorophenyl)-3-[4-(diethylamino)phenyl]urea
CID 108991877
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875348
1-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea
CID 17378273
1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813276
1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea
CID 46385135
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea (CID 108813456) is 1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea is Cc1cc(NC(=O)Nc2ccc(F)c(Cl)c2)nn1C.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea?
The InChIKey is SVMJHGPTUPRPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O/c1-7-5-11(17-18(7)2)16-12(19)15-8-3-4-10(14)9(13)6-8/h3-6H,1-2H3,(H2,15,16,17,19).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea?
1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea has a molecular weight of 282.71 g/mol, XLogP of 3.17, 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-(1,5-dimethylpyrazol-3-yl)urea is sourced from PubChem (CID 108813456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).