N-[2-[(5-amino-1-ethylpyrazol-1-ium-4-ylidene)amino]-5-(diethylamino)phenyl]acetamide

C17H25N6O+ — CID 69223338

IUPACN-[2-[(5-amino-1-ethylpyrazol-1-ium-4-ylidene)amino]-5-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(/N=C2/C=N[N+](CC)=C2N)c(NC(C)=O)c1
InChIInChI=1S/C17H24N6O/c1-5-22(6-2)13-8-9-14(15(10-13)20-12(4)24)21-16-11-19-23(7-3)17(16)18/h8-11H,5-7H2,1-4H3,(H2,18,19,20,24)/p+1
InChIKeyYMLZCJQDAFDLBQ-UHFFFAOYSA-O
MW329.43 g/mol
LogP1.95
Rot. Bonds6

About N-[2-[(5-amino-1-ethylpyrazol-1-ium-4-ylidene)amino]-5-(diethylamino)phenyl]acetamide

N-[2-[(5-amino-1-ethylpyrazol-1-ium-4-ylidene)amino]-5-(diethylamino)phenyl]acetamide (PubChem CID 69223338) has the molecular formula C17H25N6O+ and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[2-[(5-amino-1-ethylpyrazol-1-ium-4-ylidene)amino]-5-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-amino-1-ethylpyrazol-1-ium-4-ylidene)amino]-5-(diethylamino)phenyl]acetamide
PubChem CID69223338
Molecular FormulaC17H25N6O+
Molecular Weight329.43 g/mol
Exact Mass329.21
IUPAC NameN-[2-[(5-amino-1-ethylpyrazol-1-ium-4-ylidene)amino]-5-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(/N=C2/C=N[N+](CC)=C2N)c(NC(C)=O)c1
InChIInChI=1S/C17H24N6O/c1-5-22(6-2)13-8-9-14(15(10-13)20-12(4)24)21-16-11-19-23(7-3)17(16)18/h8-11H,5-7H2,1-4H3,(H2,18,19,20,24)/p+1
InChIKeyYMLZCJQDAFDLBQ-UHFFFAOYSA-O
XLogP1.95
TPSA86.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[2-[(5-amino-1-ethylpyrazol-1-ium-4-ylidene)amino]-5-(diethylamino)phenyl]urea
CID 69225379
[2-[(5-amino-1-ethylpyrazol-1-ium-4-ylidene)amino]-5-(dimethylamino)phenyl]urea
CID 69224697
[2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-1-ium-4-ylidene]amino]-5-(diethylamino)phenyl]urea
CID 69222094
[2-[(5-amino-1-propan-2-ylpyrazol-1-ium-4-ylidene)amino]-5-[di(propan-2-yl)amino]phenyl]urea
CID 69223352
[2-[(5-amino-1-phenylpyrazol-1-ium-4-ylidene)amino]-5-(dimethylamino)phenyl]urea
CID 69221427
N-[2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-1-ium-4-ylidene]amino]-5-morpholin-4-ylphenyl]acetamide
CID 69224677
N-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide
CID 102191514
methyl 2-(3-acetamido-4-amino-N-ethylanilino)acetate
CID 129215644
dimethyl 4-[[2-acetamido-4-(diethylamino)phenyl]diazenyl]-3-nitrobenzene-1,2-dicarboxylate
CID 71558290
N-[5-(diethylamino)-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]phenyl]acetamide
CID 3019660
butyl N-[5-(diethylamino)-2-nitrosophenyl]carbamate
CID 54332906
N-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide
CID 10994155

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-1-ethylpyrazol-1-ium-4-ylidene)amino]-5-(diethylamino)phenyl]acetamide?
The IUPAC name of N-[2-[(5-amino-1-ethylpyrazol-1-ium-4-ylidene)amino]-5-(diethylamino)phenyl]acetamide (CID 69223338) is N-[2-[(5-amino-1-ethylpyrazol-1-ium-4-ylidene)amino]-5-(diethylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-[(5-amino-1-ethylpyrazol-1-ium-4-ylidene)amino]-5-(diethylamino)phenyl]acetamide?
The canonical SMILES for N-[2-[(5-amino-1-ethylpyrazol-1-ium-4-ylidene)amino]-5-(diethylamino)phenyl]acetamide is CCN(CC)c1ccc(/N=C2/C=N[N+](CC)=C2N)c(NC(C)=O)c1.
What is the InChIKey of N-[2-[(5-amino-1-ethylpyrazol-1-ium-4-ylidene)amino]-5-(diethylamino)phenyl]acetamide?
The InChIKey is YMLZCJQDAFDLBQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H24N6O/c1-5-22(6-2)13-8-9-14(15(10-13)20-12(4)24)21-16-11-19-23(7-3)17(16)18/h8-11H,5-7H2,1-4H3,(H2,18,19,20,24)/p+1.
What are the key properties of N-[2-[(5-amino-1-ethylpyrazol-1-ium-4-ylidene)amino]-5-(diethylamino)phenyl]acetamide?
N-[2-[(5-amino-1-ethylpyrazol-1-ium-4-ylidene)amino]-5-(diethylamino)phenyl]acetamide has a molecular weight of 329.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-amino-1-ethylpyrazol-1-ium-4-ylidene)amino]-5-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 69223338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).