4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide

C17H20N6O — CID 47054980

IUPAC4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide
SMILESCC1=NN(c2ccc(C(=O)NCCNc3cnccn3)cc2)CC1
InChIInChI=1S/C17H20N6O/c1-13-6-11-23(22-13)15-4-2-14(3-5-15)17(24)21-10-9-20-16-12-18-7-8-19-16/h2-5,7-8,12H,6,9-11H2,1H3,(H,19,20)(H,21,24)
InChIKeyFZVNALOEIKTJBS-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.90
Rot. Bonds6

About 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide

4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide (PubChem CID 47054980) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide
PubChem CID47054980
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide
SMILESCC1=NN(c2ccc(C(=O)NCCNc3cnccn3)cc2)CC1
InChIInChI=1S/C17H20N6O/c1-13-6-11-23(22-13)15-4-2-14(3-5-15)17(24)21-10-9-20-16-12-18-7-8-19-16/h2-5,7-8,12H,6,9-11H2,1H3,(H,19,20)(H,21,24)
InChIKeyFZVNALOEIKTJBS-UHFFFAOYSA-N
XLogP1.90
TPSA82.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(2-methylsulfanylethyl)benzamide
CID 167958148
N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 51092478
6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide
CID 37109544
N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 111484572
N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 47234524
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041675
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 55699746
6-methyl-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-2-carboxamide
CID 38583271
methyl (2R)-2-methyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]butanoate
CID 95154683
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 87040971
3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 47031577
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 55760895

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide?
The IUPAC name of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide (CID 47054980) is 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide?
The canonical SMILES for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide is CC1=NN(c2ccc(C(=O)NCCNc3cnccn3)cc2)CC1.
What is the InChIKey of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide?
The InChIKey is FZVNALOEIKTJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-13-6-11-23(22-13)15-4-2-14(3-5-15)17(24)21-10-9-20-16-12-18-7-8-19-16/h2-5,7-8,12H,6,9-11H2,1H3,(H,19,20)(H,21,24).
What are the key properties of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide?
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide has a molecular weight of 324.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 47054980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).