2-[1-(3-chloro-2-methylphenyl)pyrazol-4-yl]-4-methylquinoline

C20H16ClN3 — CID 10286641

IUPAC2-[1-(3-chloro-2-methylphenyl)pyrazol-4-yl]-4-methylquinoline
SMILESCc1c(Cl)cccc1-n1cc(-c2cc(C)c3ccccc3n2)cn1
InChIInChI=1S/C20H16ClN3/c1-13-10-19(23-18-8-4-3-6-16(13)18)15-11-22-24(12-15)20-9-5-7-17(21)14(20)2/h3-12H,1-2H3
InChIKeyPWUAZSQGILQLJE-UHFFFAOYSA-N
MW333.82 g/mol
LogP5.36
Rot. Bonds2

About 2-[1-(3-chloro-2-methylphenyl)pyrazol-4-yl]-4-methylquinoline

2-[1-(3-chloro-2-methylphenyl)pyrazol-4-yl]-4-methylquinoline (PubChem CID 10286641) has the molecular formula C20H16ClN3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-methylphenyl)pyrazol-4-yl]-4-methylquinoline.

Molecular Properties

Compound Name2-[1-(3-chloro-2-methylphenyl)pyrazol-4-yl]-4-methylquinoline
PubChem CID10286641
Molecular FormulaC20H16ClN3
Molecular Weight333.82 g/mol
Exact Mass333.10
IUPAC Name2-[1-(3-chloro-2-methylphenyl)pyrazol-4-yl]-4-methylquinoline
SMILESCc1c(Cl)cccc1-n1cc(-c2cc(C)c3ccccc3n2)cn1
InChIInChI=1S/C20H16ClN3/c1-13-10-19(23-18-8-4-3-6-16(13)18)15-11-22-24(12-15)20-9-5-7-17(21)14(20)2/h3-12H,1-2H3
InChIKeyPWUAZSQGILQLJE-UHFFFAOYSA-N
XLogP5.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.82
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-methylphenyl)pyrazol-4-yl]-4-methylquinoline?
The IUPAC name of 2-[1-(3-chloro-2-methylphenyl)pyrazol-4-yl]-4-methylquinoline (CID 10286641) is 2-[1-(3-chloro-2-methylphenyl)pyrazol-4-yl]-4-methylquinoline.
What is the SMILES notation for 2-[1-(3-chloro-2-methylphenyl)pyrazol-4-yl]-4-methylquinoline?
The canonical SMILES for 2-[1-(3-chloro-2-methylphenyl)pyrazol-4-yl]-4-methylquinoline is Cc1c(Cl)cccc1-n1cc(-c2cc(C)c3ccccc3n2)cn1.
What is the InChIKey of 2-[1-(3-chloro-2-methylphenyl)pyrazol-4-yl]-4-methylquinoline?
The InChIKey is PWUAZSQGILQLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3/c1-13-10-19(23-18-8-4-3-6-16(13)18)15-11-22-24(12-15)20-9-5-7-17(21)14(20)2/h3-12H,1-2H3.
What are the key properties of 2-[1-(3-chloro-2-methylphenyl)pyrazol-4-yl]-4-methylquinoline?
2-[1-(3-chloro-2-methylphenyl)pyrazol-4-yl]-4-methylquinoline has a molecular weight of 333.82 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-2-methylphenyl)pyrazol-4-yl]-4-methylquinoline is sourced from PubChem (CID 10286641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).