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

C14H18N4O — CID 54905633

IUPAC4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1cc(C(=O)N(C)Cc2cnn(C)c2)ccc1N
InChIInChI=1S/C14H18N4O/c1-10-6-12(4-5-13(10)15)14(19)17(2)8-11-7-16-18(3)9-11/h4-7,9H,8,15H2,1-3H3
InChIKeyBGMOTMFNSFKKHD-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.58
Rot. Bonds3

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

4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 54905633) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID54905633
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1cc(C(=O)N(C)Cc2cnn(C)c2)ccc1N
InChIInChI=1S/C14H18N4O/c1-10-6-12(4-5-13(10)15)14(19)17(2)8-11-7-16-18(3)9-11/h4-7,9H,8,15H2,1-3H3
InChIKeyBGMOTMFNSFKKHD-UHFFFAOYSA-N
XLogP1.58
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.58
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-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905632
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
3-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-nitrobenzamide
CID 62681106
3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843005
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60937956
2-amino-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63110187
4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31844154
4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 63361195
methyl 4-amino-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzoate
CID 82784994
3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61439785
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63659531

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 54905633) is 4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cc1cc(C(=O)N(C)Cc2cnn(C)c2)ccc1N.
What is the InChIKey of 4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is BGMOTMFNSFKKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-6-12(4-5-13(10)15)14(19)17(2)8-11-7-16-18(3)9-11/h4-7,9H,8,15H2,1-3H3.
What are the key properties of 4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 54905633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).