N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide

C17H24N4O — CID 119641319

IUPACN-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H24N4O/c1-3-17(18,4-2)13-19-16(22)15-10-20-21(12-15)11-14-8-6-5-7-9-14/h5-10,12H,3-4,11,13,18H2,1-2H3,(H,19,22)
InChIKeyGDRVVZBYFKJGQD-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.18
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide

N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide (PubChem CID 119641319) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide
PubChem CID119641319
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H24N4O/c1-3-17(18,4-2)13-19-16(22)15-10-20-21(12-15)11-14-8-6-5-7-9-14/h5-10,12H,3-4,11,13,18H2,1-2H3,(H,19,22)
InChIKeyGDRVVZBYFKJGQD-UHFFFAOYSA-N
XLogP2.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide
CID 111483220
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide
CID 111442127
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119643220
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119643219
1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 18167165
1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 24504538
1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide
CID 111102491
1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 27554728

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide (CID 119641319) is N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide is CCC(N)(CC)CNC(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide?
The InChIKey is GDRVVZBYFKJGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-17(18,4-2)13-19-16(22)15-10-20-21(12-15)11-14-8-6-5-7-9-14/h5-10,12H,3-4,11,13,18H2,1-2H3,(H,19,22).
What are the key properties of N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide?
N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide is sourced from PubChem (CID 119641319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).