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

C12H12Cl2N4O — CID 107184699

IUPAC5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CNC(=O)c2cc(N)cc(Cl)c2Cl)cn1
InChIInChI=1S/C12H12Cl2N4O/c1-18-6-7(5-17-18)4-16-12(19)9-2-8(15)3-10(13)11(9)14/h2-3,5-6H,4,15H2,1H3,(H,16,19)
InChIKeyDVKLHWQATDKRHA-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.24
Rot. Bonds3

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

5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 107184699) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID107184699
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CNC(=O)c2cc(N)cc(Cl)c2Cl)cn1
InChIInChI=1S/C12H12Cl2N4O/c1-18-6-7(5-17-18)4-16-12(19)9-2-8(15)3-10(13)11(9)14/h2-3,5-6H,4,15H2,1H3,(H,16,19)
InChIKeyDVKLHWQATDKRHA-UHFFFAOYSA-N
XLogP2.24
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.24
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

3-amino-4,5-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61349240
5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 103296226
2-(1-methylpyrazol-4-yl)ethyl 5-amino-2,3-dichlorobenzoate
CID 103720457
5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184567
5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide
CID 107183626
5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 55051270
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
CID 19292310
4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 61348466
5-amino-N-[(1-methylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 62185630
5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide
CID 107183451
5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229457
4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61351154

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 107184699) is 5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cn1cc(CNC(=O)c2cc(N)cc(Cl)c2Cl)cn1.
What is the InChIKey of 5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is DVKLHWQATDKRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-18-6-7(5-17-18)4-16-12(19)9-2-8(15)3-10(13)11(9)14/h2-3,5-6H,4,15H2,1H3,(H,16,19).
What are the key properties of 5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 299.16 g/mol, XLogP of 2.24, 3 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)methyl]benzamide is sourced from PubChem (CID 107184699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).