3-ethyl-1-pyrazol-1-ylisoquinoline

C14H13N3 — CID 58621090

IUPAC3-ethyl-1-pyrazol-1-ylisoquinoline
SMILESCCc1cc2ccccc2c(-n2cccn2)n1
InChIInChI=1S/C14H13N3/c1-2-12-10-11-6-3-4-7-13(11)14(16-12)17-9-5-8-15-17/h3-10H,2H2,1H3
InChIKeyFWQLPAUMFFENKN-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.98
Rot. Bonds2

About 3-ethyl-1-pyrazol-1-ylisoquinoline

3-ethyl-1-pyrazol-1-ylisoquinoline (PubChem CID 58621090) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-ethyl-1-pyrazol-1-ylisoquinoline.

Molecular Properties

Compound Name3-ethyl-1-pyrazol-1-ylisoquinoline
PubChem CID58621090
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name3-ethyl-1-pyrazol-1-ylisoquinoline
SMILESCCc1cc2ccccc2c(-n2cccn2)n1
InChIInChI=1S/C14H13N3/c1-2-12-10-11-6-3-4-7-13(11)14(16-12)17-9-5-8-15-17/h3-10H,2H2,1H3
InChIKeyFWQLPAUMFFENKN-UHFFFAOYSA-N
XLogP2.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-pyrazol-1-ylisoquinoline?
The IUPAC name of 3-ethyl-1-pyrazol-1-ylisoquinoline (CID 58621090) is 3-ethyl-1-pyrazol-1-ylisoquinoline.
What is the SMILES notation for 3-ethyl-1-pyrazol-1-ylisoquinoline?
The canonical SMILES for 3-ethyl-1-pyrazol-1-ylisoquinoline is CCc1cc2ccccc2c(-n2cccn2)n1.
What is the InChIKey of 3-ethyl-1-pyrazol-1-ylisoquinoline?
The InChIKey is FWQLPAUMFFENKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-12-10-11-6-3-4-7-13(11)14(16-12)17-9-5-8-15-17/h3-10H,2H2,1H3.
What are the key properties of 3-ethyl-1-pyrazol-1-ylisoquinoline?
3-ethyl-1-pyrazol-1-ylisoquinoline has a molecular weight of 223.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-pyrazol-1-ylisoquinoline is sourced from PubChem (CID 58621090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).