6-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline

C13H15N3 — CID 81224527

IUPAC6-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCc1ccn(-c2ccc3c(c2)CCCN3)n1
InChIInChI=1S/C13H15N3/c1-10-6-8-16(15-10)12-4-5-13-11(9-12)3-2-7-14-13/h4-6,8-9,14H,2-3,7H2,1H3
InChIKeyZVIHTVKOJBJYNT-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.54
Rot. Bonds1

About 6-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline

6-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81224527) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 6-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID81224527
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name6-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCc1ccn(-c2ccc3c(c2)CCCN3)n1
InChIInChI=1S/C13H15N3/c1-10-6-8-16(15-10)12-4-5-13-11(9-12)3-2-7-14-13/h4-6,8-9,14H,2-3,7H2,1H3
InChIKeyZVIHTVKOJBJYNT-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline (CID 81224527) is 6-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline is Cc1ccn(-c2ccc3c(c2)CCCN3)n1.
What is the InChIKey of 6-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZVIHTVKOJBJYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-6-8-16(15-10)12-4-5-13-11(9-12)3-2-7-14-13/h4-6,8-9,14H,2-3,7H2,1H3.
What are the key properties of 6-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline?
6-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 213.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81224527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).