5-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline

C14H13N3 — CID 28954161

IUPAC5-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline
SMILESCc1n[nH]c(C)c1-c1cccc2ncccc12
InChIInChI=1S/C14H13N3/c1-9-14(10(2)17-16-9)12-5-3-7-13-11(12)6-4-8-15-13/h3-8H,1-2H3,(H,16,17)
InChIKeyDJOVOIIYJHYACI-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.24
Rot. Bonds1

About 5-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline

5-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline (PubChem CID 28954161) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline.

Molecular Properties

Compound Name5-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline
PubChem CID28954161
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name5-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline
SMILESCc1n[nH]c(C)c1-c1cccc2ncccc12
InChIInChI=1S/C14H13N3/c1-9-14(10(2)17-16-9)12-5-3-7-13-11(12)6-4-8-15-13/h3-8H,1-2H3,(H,16,17)
InChIKeyDJOVOIIYJHYACI-UHFFFAOYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline?
The IUPAC name of 5-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline (CID 28954161) is 5-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline.
What is the SMILES notation for 5-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline?
The canonical SMILES for 5-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline is Cc1n[nH]c(C)c1-c1cccc2ncccc12.
What is the InChIKey of 5-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline?
The InChIKey is DJOVOIIYJHYACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-9-14(10(2)17-16-9)12-5-3-7-13-11(12)6-4-8-15-13/h3-8H,1-2H3,(H,16,17).
What are the key properties of 5-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline?
5-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline has a molecular weight of 223.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline is sourced from PubChem (CID 28954161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).