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

C13H13Cl2N3O — CID 31843005

IUPAC3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H13Cl2N3O/c1-17(7-9-6-16-18(2)8-9)13(19)10-3-11(14)5-12(15)4-10/h3-6,8H,7H2,1-2H3
InChIKeyMHLWAYMOFDIGNB-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.00
Rot. Bonds3

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

3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 31843005) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID31843005
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H13Cl2N3O/c1-17(7-9-6-16-18(2)8-9)13(19)10-3-11(14)5-12(15)4-10/h3-6,8H,7H2,1-2H3
InChIKeyMHLWAYMOFDIGNB-UHFFFAOYSA-N
XLogP3.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 86908026
3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905632
5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 31844671
5-chloro-6-(ethylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 62177921
4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905633
5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184567
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
5-amino-2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61114879
2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63659531
2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 61442217
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-N-methylbenzamide
CID 27863693

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 31843005) is 3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is CN(Cc1cnn(C)c1)C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is MHLWAYMOFDIGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-17(7-9-6-16-18(2)8-9)13(19)10-3-11(14)5-12(15)4-10/h3-6,8H,7H2,1-2H3.
What are the key properties of 3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 298.17 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 31843005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).