N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide

C23H28N4O — CID 119526949

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(N)c2ccc(C(C)C)cc2)cnn1Cc1ccccc1
InChIInChI=1S/C23H28N4O/c1-16(2)19-9-11-20(12-10-19)22(24)14-25-23(28)21-13-26-27(17(21)3)15-18-7-5-4-6-8-18/h4-13,16,22H,14-15,24H2,1-3H3,(H,25,28)
InChIKeyHVQWZMCUZABEPR-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.79
Rot. Bonds7

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide (PubChem CID 119526949) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide
PubChem CID119526949
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(N)c2ccc(C(C)C)cc2)cnn1Cc1ccccc1
InChIInChI=1S/C23H28N4O/c1-16(2)19-9-11-20(12-10-19)22(24)14-25-23(28)21-13-26-27(17(21)3)15-18-7-5-4-6-8-18/h4-13,16,22H,14-15,24H2,1-3H3,(H,25,28)
InChIKeyHVQWZMCUZABEPR-UHFFFAOYSA-N
XLogP3.79
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminobutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119498889
N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119629878
N-[3-amino-2-[(2-chlorophenyl)methyl]-3-oxopropyl]-1-benzyl-5-methylpyrazole-4-carboxamide
CID 166198105
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119643220
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119643219
1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide
CID 119508720
tert-butyl N-[1-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-3-methylbutan-2-yl]carbamate
CID 86956613
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 119526238
2-acetyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 119525343
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 119525632
2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 119525363
N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119584582

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide (CID 119526949) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCC(N)c2ccc(C(C)C)cc2)cnn1Cc1ccccc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide?
The InChIKey is HVQWZMCUZABEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-16(2)19-9-11-20(12-10-19)22(24)14-25-23(28)21-13-26-27(17(21)3)15-18-7-5-4-6-8-18/h4-13,16,22H,14-15,24H2,1-3H3,(H,25,28).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 119526949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).