5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide

C11H10Cl2N4O — CID 107183626

IUPAC5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2cc(N)cc(Cl)c2Cl)cn1
InChIInChI=1S/C11H10Cl2N4O/c1-17-5-7(4-15-17)16-11(18)8-2-6(14)3-9(12)10(8)13/h2-5H,14H2,1H3,(H,16,18)
InChIKeyWCWUPFKOWIBBTG-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.56
Rot. Bonds2

About 5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide

5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 107183626) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID107183626
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2cc(N)cc(Cl)c2Cl)cn1
InChIInChI=1S/C11H10Cl2N4O/c1-17-5-7(4-15-17)16-11(18)8-2-6(14)3-9(12)10(8)13/h2-5H,14H2,1H3,(H,16,18)
InChIKeyWCWUPFKOWIBBTG-UHFFFAOYSA-N
XLogP2.56
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)benzamide
CID 1272229
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-nitrobenzamide
CID 842453
4-{[(2-chlorophenyl)carbonyl]amino}-1-ethyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 4865522
4-{[(2-chlorophenyl)carbonyl]amino}-1-methyl-N-propyl-1H-pyrazole-5-carboxamide
CID 4865549
4-(2-Chlorobenzamido)-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 19408912
4-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzamide
CID 51078622
2-chloro-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]benzamide
CID 72010668
2,3-dichloro-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 72126910
3-(3-chlorophenyl)-1-methyl-N-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 60178349
2-amino-5-chloro-3-fluoro-N-methyl-N-(1-methylpyrazol-4-yl)benzamide
CID 121536100
2-chloro-N-(2-methylpropyl)-5-[3-(1-methylpyrazol-3-yl)propanoylamino]benzamide
CID 126801909
2-Chloro-4-[(2-propan-2-ylpyrazol-3-yl)methylamino]benzamide
CID 126811553

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide (CID 107183626) is 5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide is Cn1cc(NC(=O)c2cc(N)cc(Cl)c2Cl)cn1.
What is the InChIKey of 5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is WCWUPFKOWIBBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c1-17-5-7(4-15-17)16-11(18)8-2-6(14)3-9(12)10(8)13/h2-5H,14H2,1H3,(H,16,18).
What are the key properties of 5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide?
5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 285.13 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 107183626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).