1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide

C23H28N4O — CID 18167165

IUPAC1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C23H28N4O/c1-3-26(4-2)22(20-13-9-6-10-14-20)16-24-23(28)21-15-25-27(18-21)17-19-11-7-5-8-12-19/h5-15,18,22H,3-4,16-17H2,1-2H3,(H,24,28)
InChIKeyWVBBTHIFTSUWKH-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.74
Rot. Bonds9

About 1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide

1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide (PubChem CID 18167165) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide
PubChem CID18167165
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C23H28N4O/c1-3-26(4-2)22(20-13-9-6-10-14-20)16-24-23(28)21-15-25-27(18-21)17-19-11-7-5-8-12-19/h5-15,18,22H,3-4,16-17H2,1-2H3,(H,24,28)
InChIKeyWVBBTHIFTSUWKH-UHFFFAOYSA-N
XLogP3.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide
CID 111102491
1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 24504538
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide
CID 86926836
1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide
CID 111483220
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619
1-benzyl-N-[[3-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 155945718
N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide
CID 119641319
(4S)-4-[(1-benzylpyrazole-4-carbonyl)amino]pentanoic acid
CID 97338785

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide (CID 18167165) is 1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide is CCN(CC)C(CNC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1.
What is the InChIKey of 1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide?
The InChIKey is WVBBTHIFTSUWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-3-26(4-2)22(20-13-9-6-10-14-20)16-24-23(28)21-15-25-27(18-21)17-19-11-7-5-8-12-19/h5-15,18,22H,3-4,16-17H2,1-2H3,(H,24,28).
What are the key properties of 1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide?
1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 18167165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).