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

C13H15N3 — CID 106779086

IUPAC4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCn1nccc1C1CCNc2ccccc21
InChIInChI=1S/C13H15N3/c1-16-13(7-9-15-16)11-6-8-14-12-5-3-2-4-10(11)12/h2-5,7,9,11,14H,6,8H2,1H3
InChIKeyOWTACPWPYJQGOD-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.37
Rot. Bonds1

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

4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106779086) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID106779086
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCn1nccc1C1CCNc2ccccc21
InChIInChI=1S/C13H15N3/c1-16-13(7-9-15-16)11-6-8-14-12-5-3-2-4-10(11)12/h2-5,7,9,11,14H,6,8H2,1H3
InChIKeyOWTACPWPYJQGOD-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline (CID 106779086) is 4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline is Cn1nccc1C1CCNc2ccccc21.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is OWTACPWPYJQGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16-13(7-9-15-16)11-6-8-14-12-5-3-2-4-10(11)12/h2-5,7,9,11,14H,6,8H2,1H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 213.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106779086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).