4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzamide

C14H18N4O — CID 84760316

IUPAC4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzamide
SMILESCNCc1c(C)nn(-c2ccc(C(N)=O)cc2)c1C
InChIInChI=1S/C14H18N4O/c1-9-13(8-16-3)10(2)18(17-9)12-6-4-11(5-7-12)14(15)19/h4-7,16H,8H2,1-3H3,(H2,15,19)
InChIKeyLKZIHHODLBWRRN-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.31
Rot. Bonds4

About 4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzamide

4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzamide (PubChem CID 84760316) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzamide
PubChem CID84760316
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzamide
SMILESCNCc1c(C)nn(-c2ccc(C(N)=O)cc2)c1C
InChIInChI=1S/C14H18N4O/c1-9-13(8-16-3)10(2)18(17-9)12-6-4-11(5-7-12)14(15)19/h4-7,16H,8H2,1-3H3,(H2,15,19)
InChIKeyLKZIHHODLBWRRN-UHFFFAOYSA-N
XLogP1.31
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzoate
CID 84760313
1-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 84760351
1-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 84760326
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 28614415
[2-(4-carbamoylanilino)-2-oxoethyl]-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium
CID 9436761
(2-amino-2-oxoethyl) 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethylpyrazol-1-yl]benzoate
CID 9065250
1-[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 61270772
3-[1-[4-(ethylcarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 119181040
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 134013965
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119502495
4-(4-cyano-5-methyltriazol-1-yl)benzamide
CID 82195267
N-[[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 84760417

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzamide?
The IUPAC name of 4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzamide (CID 84760316) is 4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for 4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for 4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzamide is CNCc1c(C)nn(-c2ccc(C(N)=O)cc2)c1C.
What is the InChIKey of 4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzamide?
The InChIKey is LKZIHHODLBWRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-13(8-16-3)10(2)18(17-9)12-6-4-11(5-7-12)14(15)19/h4-7,16H,8H2,1-3H3,(H2,15,19).
What are the key properties of 4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzamide?
4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 84760316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).