N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide

C15H20N4O — CID 102809971

IUPACN-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(C)Cc1ccc(N)cc1
InChIInChI=1S/C15H20N4O/c1-4-14-13(10-19(3)17-14)15(20)18(2)9-11-5-7-12(16)8-6-11/h5-8,10H,4,9,16H2,1-3H3
InChIKeyKMXKRGBLHSQTMM-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.84
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide

N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 102809971) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
PubChem CID102809971
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(C)Cc1ccc(N)cc1
InChIInChI=1S/C15H20N4O/c1-4-14-13(10-19(3)17-14)15(20)18(2)9-11-5-7-12(16)8-6-11/h5-8,10H,4,9,16H2,1-3H3
InChIKeyKMXKRGBLHSQTMM-UHFFFAOYSA-N
XLogP1.84
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-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-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 103893389
3-ethyl-N-(1H-imidazol-2-ylmethyl)-N,1-dimethylpyrazole-4-carboxamide
CID 113347479
3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 102810325
N-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide
CID 75399076
1-[(4-aminophenyl)methyl]-3-ethyl-1,3-dimethylurea
CID 79159501
N-[[4-(2-aminoethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810942
N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide
CID 102809911
5-amino-N-[(4-ethylphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 43587026
3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide
CID 103894190
N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82827016
N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
CID 43458074
N-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide
CID 102809912

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide (CID 102809971) is N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)N(C)Cc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is KMXKRGBLHSQTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-14-13(10-19(3)17-14)15(20)18(2)9-11-5-7-12(16)8-6-11/h5-8,10H,4,9,16H2,1-3H3.
What are the key properties of N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide?
N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 102809971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).