1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide

C23H28N4O — CID 24504538

IUPAC1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C23H28N4O/c1-3-26(4-2)16-21-12-10-19(11-13-21)14-24-23(28)22-15-25-27(18-22)17-20-8-6-5-7-9-20/h5-13,15,18H,3-4,14,16-17H2,1-2H3,(H,24,28)
InChIKeyRBZNBVHQMPAKFF-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.70
Rot. Bonds9

About 1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide

1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 24504538) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID24504538
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C23H28N4O/c1-3-26(4-2)16-21-12-10-19(11-13-21)14-24-23(28)22-15-25-27(18-22)17-20-8-6-5-7-9-20/h5-13,15,18H,3-4,14,16-17H2,1-2H3,(H,24,28)
InChIKeyRBZNBVHQMPAKFF-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[[3-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 155945718
1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 27554728
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894
1-benzyl-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 86996216
1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 18167165
1-benzylpyrazole-4-carbohydrazide
CID 83386286
methyl N-[4-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]benzenecarboximidoyl]carbamate
CID 149436505
1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide
CID 86926836
4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55867992
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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 24504538) is 1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide is CCN(CC)Cc1ccc(CNC(=O)c2cnn(Cc3ccccc3)c2)cc1.
What is the InChIKey of 1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is RBZNBVHQMPAKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-3-26(4-2)16-21-12-10-19(11-13-21)14-24-23(28)22-15-25-27(18-22)17-20-8-6-5-7-9-20/h5-13,15,18H,3-4,14,16-17H2,1-2H3,(H,24,28).
What are the key properties of 1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide?
1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 24504538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).