4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide

C14H18N4O — CID 28614415

IUPAC4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
SMILESCc1nn(C)c(C)c1CNc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H18N4O/c1-9-13(10(2)18(3)17-9)8-16-12-6-4-11(5-7-12)14(15)19/h4-7,16H,8H2,1-3H3,(H2,15,19)
InChIKeyBLZYSURGHFPMSO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.75
Rot. Bonds4

About 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide

4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide (PubChem CID 28614415) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
PubChem CID28614415
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
SMILESCc1nn(C)c(C)c1CNc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H18N4O/c1-9-13(10(2)18(3)17-9)8-16-12-6-4-11(5-7-12)14(15)19/h4-7,16H,8H2,1-3H3,(H2,15,19)
InChIKeyBLZYSURGHFPMSO-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]butan-1-one
CID 68722977
methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 43730207
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide
CID 28614875
4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide
CID 119138224
2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695053
methyl 2-chloro-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoate
CID 43672647
N-(1-hydroxybutan-2-yl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]acetamide
CID 111524099
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid
CID 79241762
ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 79034168
3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 82992380
4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
CID 62474919
5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]thiophene-3-carboxamide
CID 79613806

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide?
The IUPAC name of 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide (CID 28614415) is 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide?
The canonical SMILES for 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide is Cc1nn(C)c(C)c1CNc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide?
The InChIKey is BLZYSURGHFPMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-13(10(2)18(3)17-9)8-16-12-6-4-11(5-7-12)14(15)19/h4-7,16H,8H2,1-3H3,(H2,15,19).
What are the key properties of 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide?
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 28614415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).