N-(5-methyl-2-phenylpyrazol-3-yl)quinolin-2-amine

C19H16N4 — CID 3591179

IUPACN-(5-methyl-2-phenylpyrazol-3-yl)quinolin-2-amine
SMILESCc1cc(Nc2ccc3ccccc3n2)n(-c2ccccc2)n1
InChIInChI=1S/C19H16N4/c1-14-13-19(23(22-14)16-8-3-2-4-9-16)21-18-12-11-15-7-5-6-10-17(15)20-18/h2-13H,1H3,(H,20,21)
InChIKeyJWCFOGOSZKNAGJ-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.47
Rot. Bonds3

About N-(5-methyl-2-phenylpyrazol-3-yl)quinolin-2-amine

N-(5-methyl-2-phenylpyrazol-3-yl)quinolin-2-amine (PubChem CID 3591179) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-(5-methyl-2-phenylpyrazol-3-yl)quinolin-2-amine.

Molecular Properties

Compound NameN-(5-methyl-2-phenylpyrazol-3-yl)quinolin-2-amine
PubChem CID3591179
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC NameN-(5-methyl-2-phenylpyrazol-3-yl)quinolin-2-amine
SMILESCc1cc(Nc2ccc3ccccc3n2)n(-c2ccccc2)n1
InChIInChI=1S/C19H16N4/c1-14-13-19(23(22-14)16-8-3-2-4-9-16)21-18-12-11-15-7-5-6-10-17(15)20-18/h2-13H,1H3,(H,20,21)
InChIKeyJWCFOGOSZKNAGJ-UHFFFAOYSA-N
XLogP4.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)quinolin-2-amine?
The IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)quinolin-2-amine (CID 3591179) is N-(5-methyl-2-phenylpyrazol-3-yl)quinolin-2-amine.
What is the SMILES notation for N-(5-methyl-2-phenylpyrazol-3-yl)quinolin-2-amine?
The canonical SMILES for N-(5-methyl-2-phenylpyrazol-3-yl)quinolin-2-amine is Cc1cc(Nc2ccc3ccccc3n2)n(-c2ccccc2)n1.
What is the InChIKey of N-(5-methyl-2-phenylpyrazol-3-yl)quinolin-2-amine?
The InChIKey is JWCFOGOSZKNAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-14-13-19(23(22-14)16-8-3-2-4-9-16)21-18-12-11-15-7-5-6-10-17(15)20-18/h2-13H,1H3,(H,20,21).
What are the key properties of N-(5-methyl-2-phenylpyrazol-3-yl)quinolin-2-amine?
N-(5-methyl-2-phenylpyrazol-3-yl)quinolin-2-amine has a molecular weight of 300.37 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-phenylpyrazol-3-yl)quinolin-2-amine is sourced from PubChem (CID 3591179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).