3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide

C16H22N4O — CID 79569576

IUPAC3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NCc1cnn(C)c1C
InChIInChI=1S/C16H22N4O/c1-11-6-7-13(16(21)19(3)4)8-15(11)17-9-14-10-18-20(5)12(14)2/h6-8,10,17H,9H2,1-5H3
InChIKeyRLBFMGUNDGQBRP-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.35
Rot. Bonds4

About 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide

3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide (PubChem CID 79569576) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide
PubChem CID79569576
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NCc1cnn(C)c1C
InChIInChI=1S/C16H22N4O/c1-11-6-7-13(16(21)19(3)4)8-15(11)17-9-14-10-18-20(5)12(14)2/h6-8,10,17H,9H2,1-5H3
InChIKeyRLBFMGUNDGQBRP-UHFFFAOYSA-N
XLogP2.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-N,N,4-trimethylbenzamide
CID 126773855
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79579238
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-fluorobenzoic acid
CID 79578895
methyl 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-methylbenzoate
CID 79578378
N,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66399583
3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide
CID 114139144
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide
CID 79578897
3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide
CID 106035548
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 102978759
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 79570692
1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone
CID 113259835
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 79569429

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide?
The IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide (CID 79569576) is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide.
What is the SMILES notation for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide?
The canonical SMILES for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)C)cc1NCc1cnn(C)c1C.
What is the InChIKey of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide?
The InChIKey is RLBFMGUNDGQBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-6-7-13(16(21)19(3)4)8-15(11)17-9-14-10-18-20(5)12(14)2/h6-8,10,17H,9H2,1-5H3.
What are the key properties of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide?
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide has a molecular weight of 286.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide is sourced from PubChem (CID 79569576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).