1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide

C17H23N3O2 — CID 111483220

IUPAC1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H23N3O2/c1-3-17(22,4-2)13-18-16(21)15-10-19-20(12-15)11-14-8-6-5-7-9-14/h5-10,12,22H,3-4,11,13H2,1-2H3,(H,18,21)
InChIKeyPDBWNWFIIQDYBB-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.21
Rot. Bonds7

About 1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide

1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide (PubChem CID 111483220) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide
PubChem CID111483220
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H23N3O2/c1-3-17(22,4-2)13-18-16(21)15-10-19-20(12-15)11-14-8-6-5-7-9-14/h5-10,12,22H,3-4,11,13H2,1-2H3,(H,18,21)
InChIKeyPDBWNWFIIQDYBB-UHFFFAOYSA-N
XLogP2.21
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide
CID 119641319
1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide
CID 111442127
1-benzylpyrazole-4-carbohydrazide
CID 83386286
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-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 27554728
1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide
CID 111102491
1-benzyl-N-[2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 42894629
1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 27230847

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide (CID 111483220) is 1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide is CCC(O)(CC)CNC(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide?
The InChIKey is PDBWNWFIIQDYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-17(22,4-2)13-18-16(21)15-10-19-20(12-15)11-14-8-6-5-7-9-14/h5-10,12,22H,3-4,11,13H2,1-2H3,(H,18,21).
What are the key properties of 1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide?
1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide is sourced from PubChem (CID 111483220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).