3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline

C13H15N3 — CID 106781776

IUPAC3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCn1ccc(C2CNc3ccccc3C2)n1
InChIInChI=1S/C13H15N3/c1-16-7-6-13(15-16)11-8-10-4-2-3-5-12(10)14-9-11/h2-7,11,14H,8-9H2,1H3
InChIKeyHHJIFSAJZRMHKB-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.17
Rot. Bonds1

About 3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline

3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106781776) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID106781776
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCn1ccc(C2CNc3ccccc3C2)n1
InChIInChI=1S/C13H15N3/c1-16-7-6-13(15-16)11-8-10-4-2-3-5-12(10)14-9-11/h2-7,11,14H,8-9H2,1H3
InChIKeyHHJIFSAJZRMHKB-UHFFFAOYSA-N
XLogP2.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106903170
1-methyl-3-(1-methylazetidin-3-yl)pyrazole
CID 90070858
3-cyclopentyl-1-methylpyrazole
CID 23300003
3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline
CID 101408194
3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline
CID 106903175
3-imidazol-1-yl-1,2,3,4-tetrahydroquinoline
CID 54595708
3-(3-methylimidazol-4-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902698
3-methyl-5-(1-methylpyrazol-3-yl)piperidine
CID 106781749
(3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline
CID 42080152
3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline
CID 118462093
3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902639
(3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 96558902

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline (CID 106781776) is 3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline is Cn1ccc(C2CNc3ccccc3C2)n1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is HHJIFSAJZRMHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16-7-6-13(15-16)11-8-10-4-2-3-5-12(10)14-9-11/h2-7,11,14H,8-9H2,1H3.
What are the key properties of 3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 213.28 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106781776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).