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

C21H24N4O — CID 27230847

IUPAC1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
SMILESCN(C)[C@@H](CNC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C21H24N4O/c1-24(2)20(18-11-7-4-8-12-18)14-22-21(26)19-13-23-25(16-19)15-17-9-5-3-6-10-17/h3-13,16,20H,14-15H2,1-2H3,(H,22,26)/t20-/m0/s1
InChIKeyYGVPNJYKYPBJOE-FQEVSTJZSA-N
MW348.45 g/mol
LogP2.96
Rot. Bonds7

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

1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide (PubChem CID 27230847) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
PubChem CID27230847
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
SMILESCN(C)[C@@H](CNC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C21H24N4O/c1-24(2)20(18-11-7-4-8-12-18)14-22-21(26)19-13-23-25(16-19)15-17-9-5-3-6-10-17/h3-13,16,20H,14-15H2,1-2H3,(H,22,26)/t20-/m0/s1
InChIKeyYGVPNJYKYPBJOE-FQEVSTJZSA-N
XLogP2.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.96
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-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 18167165
1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide
CID 111102491
1-benzylpyrazole-4-carbohydrazide
CID 83386286
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
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CID 119501619
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
(4S)-4-[(1-benzylpyrazole-4-carbonyl)amino]pentanoic acid
CID 97338785
1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 92538268
N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyridine-4-carboxamide
CID 32730765
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 51982797
1-benzyl-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrazole-4-carboxamide
CID 95980990

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide (CID 27230847) is 1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide is CN(C)[C@@H](CNC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1.
What is the InChIKey of 1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide?
The InChIKey is YGVPNJYKYPBJOE-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24N4O/c1-24(2)20(18-11-7-4-8-12-18)14-22-21(26)19-13-23-25(16-19)15-17-9-5-3-6-10-17/h3-13,16,20H,14-15H2,1-2H3,(H,22,26)/t20-/m0/s1.
What are the key properties of 1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide?
1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 27230847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).