1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide

C23H28N4O — CID 112769964

IUPAC1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCN(C)C)cc1C
InChIInChI=1S/C23H28N4O/c1-17-10-11-20(14-18(17)2)22-21(23(28)24-12-13-26(3)4)16-27(25-22)15-19-8-6-5-7-9-19/h5-11,14,16H,12-13,15H2,1-4H3,(H,24,28)
InChIKeyFEPNBIPUXNTWPL-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.51
Rot. Bonds7

About 1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide

1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide (PubChem CID 112769964) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide
PubChem CID112769964
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCN(C)C)cc1C
InChIInChI=1S/C23H28N4O/c1-17-10-11-20(14-18(17)2)22-21(23(28)24-12-13-26(3)4)16-27(25-22)15-19-8-6-5-7-9-19/h5-11,14,16H,12-13,15H2,1-4H3,(H,24,28)
InChIKeyFEPNBIPUXNTWPL-UHFFFAOYSA-N
XLogP3.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(3,4-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-carboxamide
CID 78901048
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N-methylpyrazole-4-carboxamide
CID 9227116
1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 119429455
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334
1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
1-benzyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-phenylpyrazole-4-carboxamide
CID 18228084
[(3R)-3-aminopyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone
CID 119410389
1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide
CID 51188630
ethyl N-[2-[[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56557916
1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 9224501
1-benzyl-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18268437

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide (CID 112769964) is 1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide is Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCN(C)C)cc1C.
What is the InChIKey of 1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide?
The InChIKey is FEPNBIPUXNTWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-17-10-11-20(14-18(17)2)22-21(23(28)24-12-13-26(3)4)16-27(25-22)15-19-8-6-5-7-9-19/h5-11,14,16H,12-13,15H2,1-4H3,(H,24,28).
What are the key properties of 1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide?
1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 112769964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).