1-(3-acetylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea

C19H16Cl2N4O2 — CID 2211777

IUPAC1-(3-acetylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)c1
InChIInChI=1S/C19H16Cl2N4O2/c1-12(26)13-3-2-4-16(7-13)23-19(27)24-17-9-22-25(11-17)10-14-5-6-15(20)8-18(14)21/h2-9,11H,10H2,1H3,(H2,23,24,27)
InChIKeyFNDRFDTUZWUUER-UHFFFAOYSA-N
MW403.27 g/mol
LogP5.08
Rot. Bonds5

About 1-(3-acetylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea

1-(3-acetylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea (PubChem CID 2211777) has the molecular formula C19H16Cl2N4O2 and a molecular weight of 403.27 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea
PubChem CID2211777
Molecular FormulaC19H16Cl2N4O2
Molecular Weight403.27 g/mol
Exact Mass402.07
IUPAC Name1-(3-acetylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)c1
InChIInChI=1S/C19H16Cl2N4O2/c1-12(26)13-3-2-4-16(7-13)23-19(27)24-17-9-22-25(11-17)10-14-5-6-15(20)8-18(14)21/h2-9,11H,10H2,1H3,(H2,23,24,27)
InChIKeyFNDRFDTUZWUUER-UHFFFAOYSA-N
XLogP5.08
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.27
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-{[(2-Chlorophenyl)carbamoyl]amino}-1h-Pyrazol-1-Yl)-N-(2-Methylpyridin-4-Yl)benzamide
CID 87057579
3-[4-[[[(2-Chlorophenyl)amino]carbonyl]amino]-1H-pyrazol-1-yl]-N-[1-(3-pyrrolidinyl)-1H-pyrazol-4-yl]benzamide
CID 101891709
Aminopyrazole inhibitor, 4326
CID 70702010
N-[1-(2,6-dichlorobenzyl)-1H-pyrazol-4-yl]-4-nitrobenzamide
CID 1225458
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(piperidin-4-ylmethyl)benzamide
CID 86763302
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide
CID 118143962
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)benzamide
CID 118144281
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 118144367
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 118144380
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methyl-3-pyridinyl)benzamide
CID 118146727
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2,6-dimethyl-4-pyridinyl)benzamide
CID 118146748
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]benzamide
CID 118146804

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea (CID 2211777) is 1-(3-acetylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea is CC(=O)c1cccc(NC(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea?
The InChIKey is FNDRFDTUZWUUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O2/c1-12(26)13-3-2-4-16(7-13)23-19(27)24-17-9-22-25(11-17)10-14-5-6-15(20)8-18(14)21/h2-9,11H,10H2,1H3,(H2,23,24,27).
What are the key properties of 1-(3-acetylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea?
1-(3-acetylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea has a molecular weight of 403.27 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea is sourced from PubChem (CID 2211777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).