N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide

C16H21N3O — CID 19466965

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2cn(C)nc2C)c(C)c1
InChIInChI=1S/C16H21N3O/c1-10-6-7-14(11(2)8-10)16(20)17-12(3)15-9-19(5)18-13(15)4/h6-9,12H,1-5H3,(H,17,20)
InChIKeyQZIWXZMPMVQJLS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.84
Rot. Bonds3

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide (PubChem CID 19466965) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide
PubChem CID19466965
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2cn(C)nc2C)c(C)c1
InChIInChI=1S/C16H21N3O/c1-10-6-7-14(11(2)8-10)16(20)17-12(3)15-9-19(5)18-13(15)4/h6-9,12H,1-5H3,(H,17,20)
InChIKeyQZIWXZMPMVQJLS-UHFFFAOYSA-N
XLogP2.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide
CID 19466973
5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride
CID 120624555
2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119944858
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19466797
3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466971
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide
CID 146122778
2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 94665510
N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide
CID 92613478
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide
CID 46978444
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
4-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 4744970
3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466850

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide (CID 19466965) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NC(C)c2cn(C)nc2C)c(C)c1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide?
The InChIKey is QZIWXZMPMVQJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-6-7-14(11(2)8-10)16(20)17-12(3)15-9-19(5)18-13(15)4/h6-9,12H,1-5H3,(H,17,20).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide has a molecular weight of 271.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 19466965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).