1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea

C17H14Cl2N4O — CID 108813139

IUPAC1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
SMILESCn1nc(NC(=O)Nc2c(Cl)cccc2Cl)cc1-c1ccccc1
InChIInChI=1S/C17H14Cl2N4O/c1-23-14(11-6-3-2-4-7-11)10-15(22-23)20-17(24)21-16-12(18)8-5-9-13(16)19/h2-10H,1H3,(H2,20,21,22,24)
InChIKeyFIXNCIGMGGKUIF-UHFFFAOYSA-N
MW361.23 g/mol
LogP5.04
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea

1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea (PubChem CID 108813139) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
PubChem CID108813139
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
SMILESCn1nc(NC(=O)Nc2c(Cl)cccc2Cl)cc1-c1ccccc1
InChIInChI=1S/C17H14Cl2N4O/c1-23-14(11-6-3-2-4-7-11)10-15(22-23)20-17(24)21-16-12(18)8-5-9-13(16)19/h2-10H,1H3,(H2,20,21,22,24)
InChIKeyFIXNCIGMGGKUIF-UHFFFAOYSA-N
XLogP5.04
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.23
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108812972
1-(4-chloro-2,5-dimethoxyphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813138
1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813110
1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813156
1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813006
1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813031
1-(1-methyl-5-phenylpyrazol-3-yl)-3-(2-nitrophenyl)urea
CID 108812854
1-(2-cyanoethyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813212
4-[[(1-methyl-5-phenylpyrazol-3-yl)carbamoylamino]methyl]benzoic acid
CID 108813013
6-[(1-methyl-5-phenylpyrazol-3-yl)carbamoylamino]hexanoic acid
CID 108812931
4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide
CID 108813124
1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813193

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea (CID 108813139) is 1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea is Cn1nc(NC(=O)Nc2c(Cl)cccc2Cl)cc1-c1ccccc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The InChIKey is FIXNCIGMGGKUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c1-23-14(11-6-3-2-4-7-11)10-15(22-23)20-17(24)21-16-12(18)8-5-9-13(16)19/h2-10H,1H3,(H2,20,21,22,24).
What are the key properties of 1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea has a molecular weight of 361.23 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 108813139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).