4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide

C14H19N5O — CID 63360539

IUPAC4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NCc2cn[nH]c2C)c1
InChIInChI=1S/C14H19N5O/c1-3-16-14(20)10-4-5-12(15)13(6-10)17-7-11-8-18-19-9(11)2/h4-6,8,17H,3,7,15H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyVYCYQQONVQETCT-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.66
Rot. Bonds5

About 4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide

4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide (PubChem CID 63360539) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
PubChem CID63360539
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NCc2cn[nH]c2C)c1
InChIInChI=1S/C14H19N5O/c1-3-16-14(20)10-4-5-12(15)13(6-10)17-7-11-8-18-19-9(11)2/h4-6,8,17H,3,7,15H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyVYCYQQONVQETCT-UHFFFAOYSA-N
XLogP1.66
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide 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

4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43679573
4-amino-N-ethyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzamide
CID 106369443
4-amino-N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 63360977
3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide
CID 106035548
3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736056
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998598
2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 113277766
4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
CID 83116178
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43663501
2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate
CID 83201801
4-amino-3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166646

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide?
The IUPAC name of 4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide (CID 63360539) is 4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide is CCNC(=O)c1ccc(N)c(NCc2cn[nH]c2C)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide?
The InChIKey is VYCYQQONVQETCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-16-14(20)10-4-5-12(15)13(6-10)17-7-11-8-18-19-9(11)2/h4-6,8,17H,3,7,15H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide?
4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 63360539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).