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

C13H14Cl2N4O — CID 107184567

IUPAC5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C13H14Cl2N4O/c1-18(6-8-5-17-19(2)7-8)13(20)10-3-9(16)4-11(14)12(10)15/h3-5,7H,6,16H2,1-2H3
InChIKeyCPCMIQHIRTWOPP-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.58
Rot. Bonds3

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

5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 107184567) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID107184567
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C13H14Cl2N4O/c1-18(6-8-5-17-19(2)7-8)13(20)10-3-9(16)4-11(14)12(10)15/h3-5,7H,6,16H2,1-2H3
InChIKeyCPCMIQHIRTWOPP-UHFFFAOYSA-N
XLogP2.58
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184699
5-amino-2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61114879
2-(1-methylpyrazol-4-yl)ethyl 5-amino-2,3-dichlorobenzoate
CID 103720457
3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905632
3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843005
2-amino-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63110187
2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63659531
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 31844671
5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide
CID 107185667
4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 61114885

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 107184567) is 5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is CN(Cc1cnn(C)c1)C(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is CPCMIQHIRTWOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-18(6-8-5-17-19(2)7-8)13(20)10-3-9(16)4-11(14)12(10)15/h3-5,7H,6,16H2,1-2H3.
What are the key properties of 5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 313.19 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 107184567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).