1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

C13H14Cl2N4O — CID 45147163

IUPAC1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCC(NC(=O)Nc1cccc(Cl)c1Cl)c1cnn(C)c1
InChIInChI=1S/C13H14Cl2N4O/c1-8(9-6-16-19(2)7-9)17-13(20)18-11-5-3-4-10(14)12(11)15/h3-8H,1-2H3,(H2,17,18,20)
InChIKeyVQBGXKQRSVSZDW-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.61
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 45147163) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID45147163
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCC(NC(=O)Nc1cccc(Cl)c1Cl)c1cnn(C)c1
InChIInChI=1S/C13H14Cl2N4O/c1-8(9-6-16-19(2)7-9)17-13(20)18-11-5-3-4-10(14)12(11)15/h3-8H,1-2H3,(H2,17,18,20)
InChIKeyVQBGXKQRSVSZDW-UHFFFAOYSA-N
XLogP3.61
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110472970
1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147188
1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147173
3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110473486
1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 97101111
1-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 125130723
methyl 4-methyl-3-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]carbamoylamino]benzoate
CID 125130711
3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35761538
1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96524434
2-[(2-iodophenyl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289052
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291042
N-(2,3-dichlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196117

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (CID 45147163) is 1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea is CC(NC(=O)Nc1cccc(Cl)c1Cl)c1cnn(C)c1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is VQBGXKQRSVSZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-8(9-6-16-19(2)7-9)17-13(20)18-11-5-3-4-10(14)12(11)15/h3-8H,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 313.19 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 45147163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).