6-(2,4-dimethyl-3H-pyrazol-4-yl)-3-phenyl-1,2,3,4-tetrahydroquinoline

C20H23N3 — CID 145091227

IUPAC6-(2,4-dimethyl-3H-pyrazol-4-yl)-3-phenyl-1,2,3,4-tetrahydroquinoline
SMILESCN1CC(C)(c2ccc3c(c2)CC(c2ccccc2)CN3)C=N1
InChIInChI=1S/C20H23N3/c1-20(13-22-23(2)14-20)18-8-9-19-16(11-18)10-17(12-21-19)15-6-4-3-5-7-15/h3-9,11,13,17,21H,10,12,14H2,1-2H3
InChIKeyYXBLJTWVEAUTOH-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.63
Rot. Bonds2

About 6-(2,4-dimethyl-3H-pyrazol-4-yl)-3-phenyl-1,2,3,4-tetrahydroquinoline

6-(2,4-dimethyl-3H-pyrazol-4-yl)-3-phenyl-1,2,3,4-tetrahydroquinoline (PubChem CID 145091227) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 6-(2,4-dimethyl-3H-pyrazol-4-yl)-3-phenyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(2,4-dimethyl-3H-pyrazol-4-yl)-3-phenyl-1,2,3,4-tetrahydroquinoline
PubChem CID145091227
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name6-(2,4-dimethyl-3H-pyrazol-4-yl)-3-phenyl-1,2,3,4-tetrahydroquinoline
SMILESCN1CC(C)(c2ccc3c(c2)CC(c2ccccc2)CN3)C=N1
InChIInChI=1S/C20H23N3/c1-20(13-22-23(2)14-20)18-8-9-19-16(11-18)10-17(12-21-19)15-6-4-3-5-7-15/h3-9,11,13,17,21H,10,12,14H2,1-2H3
InChIKeyYXBLJTWVEAUTOH-UHFFFAOYSA-N
XLogP3.63
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethyl-3H-pyrazol-4-yl)-3-phenyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(2,4-dimethyl-3H-pyrazol-4-yl)-3-phenyl-1,2,3,4-tetrahydroquinoline (CID 145091227) is 6-(2,4-dimethyl-3H-pyrazol-4-yl)-3-phenyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(2,4-dimethyl-3H-pyrazol-4-yl)-3-phenyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(2,4-dimethyl-3H-pyrazol-4-yl)-3-phenyl-1,2,3,4-tetrahydroquinoline is CN1CC(C)(c2ccc3c(c2)CC(c2ccccc2)CN3)C=N1.
What is the InChIKey of 6-(2,4-dimethyl-3H-pyrazol-4-yl)-3-phenyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is YXBLJTWVEAUTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-20(13-22-23(2)14-20)18-8-9-19-16(11-18)10-17(12-21-19)15-6-4-3-5-7-15/h3-9,11,13,17,21H,10,12,14H2,1-2H3.
What are the key properties of 6-(2,4-dimethyl-3H-pyrazol-4-yl)-3-phenyl-1,2,3,4-tetrahydroquinoline?
6-(2,4-dimethyl-3H-pyrazol-4-yl)-3-phenyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 305.43 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethyl-3H-pyrazol-4-yl)-3-phenyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 145091227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).