8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline

C13H15N3 — CID 106781756

IUPAC8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCn1ccc(-c2cccc3c2NCCC3)n1
InChIInChI=1S/C13H15N3/c1-16-9-7-12(15-16)11-6-2-4-10-5-3-8-14-13(10)11/h2,4,6-7,9,14H,3,5,8H2,1H3
InChIKeyRDAVAESWLYAGDS-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.45
Rot. Bonds1

About 8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline

8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106781756) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID106781756
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCn1ccc(-c2cccc3c2NCCC3)n1
InChIInChI=1S/C13H15N3/c1-16-9-7-12(15-16)11-6-2-4-10-5-3-8-14-13(10)11/h2,4,6-7,9,14H,3,5,8H2,1H3
InChIKeyRDAVAESWLYAGDS-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106781757
8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 102969938
8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114717316
3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine
CID 114718280
8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 114716664
1,2,3,4-tetrahydroquinoline-8-thiol
CID 71358239
8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722364
8-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722090
8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224095
N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide
CID 114715972
8-[3-(2-cyclopropylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722102
2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione
CID 61025387

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline (CID 106781756) is 8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline is Cn1ccc(-c2cccc3c2NCCC3)n1.
What is the InChIKey of 8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is RDAVAESWLYAGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16-9-7-12(15-16)11-6-2-4-10-5-3-8-14-13(10)11/h2,4,6-7,9,14H,3,5,8H2,1H3.
What are the key properties of 8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 213.28 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106781756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).