8-N-(3-ethyl-1-methylpyrazol-4-yl)quinoline-5,8-diamine

C15H17N5 — CID 107462124

IUPAC8-N-(3-ethyl-1-methylpyrazol-4-yl)quinoline-5,8-diamine
SMILESCCc1nn(C)cc1Nc1ccc(N)c2cccnc12
InChIInChI=1S/C15H17N5/c1-3-12-14(9-20(2)19-12)18-13-7-6-11(16)10-5-4-8-17-15(10)13/h4-9,18H,3,16H2,1-2H3
InChIKeyZFPJLTRHMGSPEV-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.86
Rot. Bonds3

About 8-N-(3-ethyl-1-methylpyrazol-4-yl)quinoline-5,8-diamine

8-N-(3-ethyl-1-methylpyrazol-4-yl)quinoline-5,8-diamine (PubChem CID 107462124) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 8-N-(3-ethyl-1-methylpyrazol-4-yl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(3-ethyl-1-methylpyrazol-4-yl)quinoline-5,8-diamine
PubChem CID107462124
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name8-N-(3-ethyl-1-methylpyrazol-4-yl)quinoline-5,8-diamine
SMILESCCc1nn(C)cc1Nc1ccc(N)c2cccnc12
InChIInChI=1S/C15H17N5/c1-3-12-14(9-20(2)19-12)18-13-7-6-11(16)10-5-4-8-17-15(10)13/h4-9,18H,3,16H2,1-2H3
InChIKeyZFPJLTRHMGSPEV-UHFFFAOYSA-N
XLogP2.86
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine
CID 102803578
N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine
CID 113349603
8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine
CID 43450167
8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine
CID 43450182
8-N-(5-bromo-2-methylphenyl)quinoline-5,8-diamine
CID 43805906
N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909212
3-N-(3-ethyl-1-methylpyrazol-4-yl)pyrazine-2,3-diamine
CID 107465112
1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 65103110
8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine
CID 43450156
8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine
CID 43450170
8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine
CID 43450177
4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 107462094

Frequently Asked Questions

What is the IUPAC name of 8-N-(3-ethyl-1-methylpyrazol-4-yl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(3-ethyl-1-methylpyrazol-4-yl)quinoline-5,8-diamine (CID 107462124) is 8-N-(3-ethyl-1-methylpyrazol-4-yl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(3-ethyl-1-methylpyrazol-4-yl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(3-ethyl-1-methylpyrazol-4-yl)quinoline-5,8-diamine is CCc1nn(C)cc1Nc1ccc(N)c2cccnc12.
What is the InChIKey of 8-N-(3-ethyl-1-methylpyrazol-4-yl)quinoline-5,8-diamine?
The InChIKey is ZFPJLTRHMGSPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-12-14(9-20(2)19-12)18-13-7-6-11(16)10-5-4-8-17-15(10)13/h4-9,18H,3,16H2,1-2H3.
What are the key properties of 8-N-(3-ethyl-1-methylpyrazol-4-yl)quinoline-5,8-diamine?
8-N-(3-ethyl-1-methylpyrazol-4-yl)quinoline-5,8-diamine has a molecular weight of 267.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(3-ethyl-1-methylpyrazol-4-yl)quinoline-5,8-diamine is sourced from PubChem (CID 107462124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).