3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C13H15ClN4O — CID 54905632

IUPAC3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C13H15ClN4O/c1-17(7-9-6-16-18(2)8-9)13(19)10-3-4-11(14)12(15)5-10/h3-6,8H,7,15H2,1-2H3
InChIKeyIJERLKARVVGCJF-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.93
Rot. Bonds3

About 3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 54905632) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID54905632
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C13H15ClN4O/c1-17(7-9-6-16-18(2)8-9)13(19)10-3-4-11(14)12(15)5-10/h3-6,8H,7,15H2,1-2H3
InChIKeyIJERLKARVVGCJF-UHFFFAOYSA-N
XLogP1.93
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.93
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

4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905633
3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843005
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63659531
acetic acid;4-(3-aminopropoxy)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154904797
5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184567
N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 86908026
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60937956
5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 31844671
2-amino-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63110187
4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 61114885
5-chloro-6-(ethylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 62177921

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 54905632) is 3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is CN(Cc1cnn(C)c1)C(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is IJERLKARVVGCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-17(7-9-6-16-18(2)8-9)13(19)10-3-4-11(14)12(15)5-10/h3-6,8H,7,15H2,1-2H3.
What are the key properties of 3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 278.74 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 54905632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).