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

C12H12Cl2N4O — CID 82794631

IUPAC4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nccc1CNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C12H12Cl2N4O/c1-18-8(2-3-17-18)6-16-12(19)7-4-9(13)11(15)10(14)5-7/h2-5H,6,15H2,1H3,(H,16,19)
InChIKeyAFZLTJKYCIMYLP-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.24
Rot. Bonds3

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

4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 82794631) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID82794631
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nccc1CNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C12H12Cl2N4O/c1-18-8(2-3-17-18)6-16-12(19)7-4-9(13)11(15)10(14)5-7/h2-5H,6,15H2,1H3,(H,16,19)
InChIKeyAFZLTJKYCIMYLP-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-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 103826536
3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304139
3,4,5-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 55167887
3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 30899209
3,4-dichloro-N-[2-[[N'-methyl-N-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111956033
4-amino-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 63304317
4-amino-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 65353862
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 55206512
3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63303526
4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 55205164
4-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
CID 19477268

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 82794631) is 4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide is Cn1nccc1CNC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is AFZLTJKYCIMYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-18-8(2-3-17-18)6-16-12(19)7-4-9(13)11(15)10(14)5-7/h2-5H,6,15H2,1H3,(H,16,19).
What are the key properties of 4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-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 4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 82794631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).