N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide

C15H19N3O — CID 63997006

IUPACN,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2cn[nH]c2C)cc1
InChIInChI=1S/C15H19N3O/c1-10-5-7-13(8-6-10)12(3)18(4)15(19)14-9-16-17-11(14)2/h5-9,12H,1-4H3,(H,16,17)
InChIKeyHJKPJJINMRSMNN-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.86
Rot. Bonds3

About N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide

N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 63997006) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID63997006
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2cn[nH]c2C)cc1
InChIInChI=1S/C15H19N3O/c1-10-5-7-13(8-6-10)12(3)18(4)15(19)14-9-16-17-11(14)2/h5-9,12H,1-4H3,(H,16,17)
InChIKeyHJKPJJINMRSMNN-UHFFFAOYSA-N
XLogP2.86
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81226725
N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717530
N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 134054395
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
N,5-dimethyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-4-carboxamide
CID 42945851
(2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 78973314
4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 81225414
3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 107518504
N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide
CID 63999032
N,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide
CID 134054140
3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
CID 61107639
N,2-dimethyl-N-(1-phenylethyl)benzamide
CID 78799210

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide (CID 63997006) is N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide is Cc1ccc(C(C)N(C)C(=O)c2cn[nH]c2C)cc1.
What is the InChIKey of N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is HJKPJJINMRSMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-5-7-13(8-6-10)12(3)18(4)15(19)14-9-16-17-11(14)2/h5-9,12H,1-4H3,(H,16,17).
What are the key properties of N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63997006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).