N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide

C17H22N4O2 — CID 60619816

IUPACN-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C17H22N4O2/c1-3-21-15(11-13(2)19-21)17(23)20(10-9-16(18)22)12-14-7-5-4-6-8-14/h4-8,11H,3,9-10,12H2,1-2H3,(H2,18,22)
InChIKeyCRMXQZFSIMSMEZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.73
Rot. Bonds7

About N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide

N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 60619816) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID60619816
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C17H22N4O2/c1-3-21-15(11-13(2)19-21)17(23)20(10-9-16(18)22)12-14-7-5-4-6-8-14/h4-8,11H,3,9-10,12H2,1-2H3,(H2,18,22)
InChIKeyCRMXQZFSIMSMEZ-UHFFFAOYSA-N
XLogP1.73
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-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

1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide
CID 42796160
2-ethyl-5-methyl-N-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide
CID 42796283
N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 66128449
2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 42789348
N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 56810430
N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 56816608
2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide
CID 42796190
N-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
CID 79668480
N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
CID 77113193
N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide
CID 28642575
3-[benzyl(ethylcarbamothioyl)amino]propanamide
CID 24540900

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide (CID 60619816) is N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)N(CCC(N)=O)Cc1ccccc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is CRMXQZFSIMSMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-21-15(11-13(2)19-21)17(23)20(10-9-16(18)22)12-14-7-5-4-6-8-14/h4-8,11H,3,9-10,12H2,1-2H3,(H2,18,22).
What are the key properties of N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide?
N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 60619816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).