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

C13H15N3 — CID 95241931

IUPAC(2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
SMILESCn1cc([C@H]2CCc3ccccc3N2)cn1
InChIInChI=1S/C13H15N3/c1-16-9-11(8-14-16)13-7-6-10-4-2-3-5-12(10)15-13/h2-5,8-9,13,15H,6-7H2,1H3/t13-/m1/s1
InChIKeyBOFRZRNYLNLNQS-CYBMUJFWSA-N
MW213.28 g/mol
LogP2.52
Rot. Bonds1

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

(2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 95241931) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID95241931
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name(2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
SMILESCn1cc([C@H]2CCc3ccccc3N2)cn1
InChIInChI=1S/C13H15N3/c1-16-9-11(8-14-16)13-7-6-10-4-2-3-5-12(10)15-13/h2-5,8-9,13,15H,6-7H2,1H3/t13-/m1/s1
InChIKeyBOFRZRNYLNLNQS-CYBMUJFWSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline (CID 95241931) is (2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline is Cn1cc([C@H]2CCc3ccccc3N2)cn1.
What is the InChIKey of (2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is BOFRZRNYLNLNQS-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15N3/c1-16-9-11(8-14-16)13-7-6-10-4-2-3-5-12(10)15-13/h2-5,8-9,13,15H,6-7H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline?
(2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 213.28 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 95241931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).