1-(quinolin-8-ylmethyl)pyrazol-4-amine

C13H12N4 — CID 28774951

IUPAC1-(quinolin-8-ylmethyl)pyrazol-4-amine
SMILESNc1cnn(Cc2cccc3cccnc23)c1
InChIInChI=1S/C13H12N4/c14-12-7-16-17(9-12)8-11-4-1-3-10-5-2-6-15-13(10)11/h1-7,9H,8,14H2
InChIKeyUOGDPAPGUYTEPX-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.06
Rot. Bonds2

About 1-(quinolin-8-ylmethyl)pyrazol-4-amine

1-(quinolin-8-ylmethyl)pyrazol-4-amine (PubChem CID 28774951) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(quinolin-8-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(quinolin-8-ylmethyl)pyrazol-4-amine
PubChem CID28774951
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name1-(quinolin-8-ylmethyl)pyrazol-4-amine
SMILESNc1cnn(Cc2cccc3cccnc23)c1
InChIInChI=1S/C13H12N4/c14-12-7-16-17(9-12)8-11-4-1-3-10-5-2-6-15-13(10)11/h1-7,9H,8,14H2
InChIKeyUOGDPAPGUYTEPX-UHFFFAOYSA-N
XLogP2.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-8-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-(quinolin-8-ylmethyl)pyrazol-4-amine (CID 28774951) is 1-(quinolin-8-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(quinolin-8-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-(quinolin-8-ylmethyl)pyrazol-4-amine is Nc1cnn(Cc2cccc3cccnc23)c1.
What is the InChIKey of 1-(quinolin-8-ylmethyl)pyrazol-4-amine?
The InChIKey is UOGDPAPGUYTEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-12-7-16-17(9-12)8-11-4-1-3-10-5-2-6-15-13(10)11/h1-7,9H,8,14H2.
What are the key properties of 1-(quinolin-8-ylmethyl)pyrazol-4-amine?
1-(quinolin-8-ylmethyl)pyrazol-4-amine has a molecular weight of 224.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-8-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 28774951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).