7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline

C15H19N3 — CID 81224329

IUPAC7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCn1cc(-c2ccc3c(c2)NCCC3)cn1
InChIInChI=1S/C15H19N3/c1-2-8-18-11-14(10-17-18)13-6-5-12-4-3-7-16-15(12)9-13/h5-6,9-11,16H,2-4,7-8H2,1H3
InChIKeyTUIWSKCVODCLBP-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.32
Rot. Bonds3

About 7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline

7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81224329) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID81224329
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCn1cc(-c2ccc3c(c2)NCCC3)cn1
InChIInChI=1S/C15H19N3/c1-2-8-18-11-14(10-17-18)13-6-5-12-4-3-7-16-15(12)9-13/h5-6,9-11,16H,2-4,7-8H2,1H3
InChIKeyTUIWSKCVODCLBP-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline (CID 81224329) is 7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline is CCCn1cc(-c2ccc3c(c2)NCCC3)cn1.
What is the InChIKey of 7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is TUIWSKCVODCLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-8-18-11-14(10-17-18)13-6-5-12-4-3-7-16-15(12)9-13/h5-6,9-11,16H,2-4,7-8H2,1H3.
What are the key properties of 7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline?
7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 241.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81224329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).