3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide

C14H18N4O — CID 106032732

IUPAC3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCc1cnn(C)c1C
InChIInChI=1S/C14H18N4O/c1-9-12(5-4-6-13(9)15)14(19)16-7-11-8-17-18(3)10(11)2/h4-6,8H,7,15H2,1-3H3,(H,16,19)
InChIKeyOXSBKTPSDQOAAQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.55
Rot. Bonds3

About 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide

3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide (PubChem CID 106032732) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide
PubChem CID106032732
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCc1cnn(C)c1C
InChIInChI=1S/C14H18N4O/c1-9-12(5-4-6-13(9)15)14(19)16-7-11-8-17-18(3)10(11)2/h4-6,8H,7,15H2,1-3H3,(H,16,19)
InChIKeyOXSBKTPSDQOAAQ-UHFFFAOYSA-N
XLogP1.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.55
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

2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106047246
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide
CID 106040117
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide
CID 106049267
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19282116
3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 103861041
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106048121
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 102978759
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-nitrobenzamide
CID 106033223
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide
CID 19571806
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide
CID 78985186
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide
CID 79523235
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 114139707

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide?
The IUPAC name of 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide (CID 106032732) is 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide is Cc1c(N)cccc1C(=O)NCc1cnn(C)c1C.
What is the InChIKey of 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide?
The InChIKey is OXSBKTPSDQOAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-12(5-4-6-13(9)15)14(19)16-7-11-8-17-18(3)10(11)2/h4-6,8H,7,15H2,1-3H3,(H,16,19).
What are the key properties of 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide?
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide has a molecular weight of 258.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 106032732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).