5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide

C17H24N4O — CID 119438538

IUPAC5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide
SMILESCCNCc1cccc(NC(=O)c2cc(C(C)(C)C)[nH]n2)c1
InChIInChI=1S/C17H24N4O/c1-5-18-11-12-7-6-8-13(9-12)19-16(22)14-10-15(21-20-14)17(2,3)4/h6-10,18H,5,11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyZVEZIYILRSTVOR-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.07
Rot. Bonds5

About 5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide

5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 119438538) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide
PubChem CID119438538
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide
SMILESCCNCc1cccc(NC(=O)c2cc(C(C)(C)C)[nH]n2)c1
InChIInChI=1S/C17H24N4O/c1-5-18-11-12-7-6-8-13(9-12)19-16(22)14-10-15(21-20-14)17(2,3)4/h6-10,18H,5,11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyZVEZIYILRSTVOR-UHFFFAOYSA-N
XLogP3.07
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide
CID 55102725
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 119438262
N-[3-(ethylaminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide
CID 60924164
N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119438297
4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43601282
N-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide
CID 167888632
N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 32736896
N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 36709127
1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 113223648
N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82808670
N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 119438044

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide (CID 119438538) is 5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide is CCNCc1cccc(NC(=O)c2cc(C(C)(C)C)[nH]n2)c1.
What is the InChIKey of 5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is ZVEZIYILRSTVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-5-18-11-12-7-6-8-13(9-12)19-16(22)14-10-15(21-20-14)17(2,3)4/h6-10,18H,5,11H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of 5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide?
5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 119438538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).