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

C14H15N5 — CID 102803578

IUPAC8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine
SMILESCc1nn(C)cc1Nc1ccc(N)c2cccnc12
InChIInChI=1S/C14H15N5/c1-9-13(8-19(2)18-9)17-12-6-5-11(15)10-4-3-7-16-14(10)12/h3-8,17H,15H2,1-2H3
InChIKeyZVWDGTDWGQHCEF-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.60
Rot. Bonds2

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

8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine (PubChem CID 102803578) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine
PubChem CID102803578
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine
SMILESCc1nn(C)cc1Nc1ccc(N)c2cccnc12
InChIInChI=1S/C14H15N5/c1-9-13(8-19(2)18-9)17-12-6-5-11(15)10-4-3-7-16-14(10)12/h3-8,17H,15H2,1-2H3
InChIKeyZVWDGTDWGQHCEF-UHFFFAOYSA-N
XLogP2.60
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.60
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-(3-ethyl-1-methylpyrazol-4-yl)quinoline-5,8-diamine
CID 107462124
8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine
CID 43450182
8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine
CID 43450167
8-N-(5-bromo-2-methylphenyl)quinoline-5,8-diamine
CID 43805906
8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine
CID 79223061
8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine
CID 43450156
8-N-(2-fluoro-5-methylphenyl)quinoline-5,8-diamine
CID 43450217
8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine
CID 43450177
4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine
CID 106751256
8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine
CID 107606169
8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine
CID 43450170
8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine
CID 62809309

Frequently Asked Questions

What is the IUPAC name of 8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine (CID 102803578) is 8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine is Cc1nn(C)cc1Nc1ccc(N)c2cccnc12.
What is the InChIKey of 8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine?
The InChIKey is ZVWDGTDWGQHCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9-13(8-19(2)18-9)17-12-6-5-11(15)10-4-3-7-16-14(10)12/h3-8,17H,15H2,1-2H3.
What are the key properties of 8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine?
8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine has a molecular weight of 253.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine is sourced from PubChem (CID 102803578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).