(5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole

C22H20N2 — CID 7374228

IUPAC(5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole
SMILESC[C@@]1(c2ccccc2)CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C22H20N2/c1-22(19-13-7-3-8-14-19)17-21(18-11-5-2-6-12-18)23-24(22)20-15-9-4-10-16-20/h2-16H,17H2,1H3/t22-/m0/s1
InChIKeyXCIHOQHTGRLYFF-QFIPXVFZSA-N
MW312.42 g/mol
LogP5.22
Rot. Bonds3

About (5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole

(5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole (PubChem CID 7374228) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is (5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole.

Molecular Properties

Compound Name(5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole
PubChem CID7374228
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name(5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole
SMILESC[C@@]1(c2ccccc2)CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C22H20N2/c1-22(19-13-7-3-8-14-19)17-21(18-11-5-2-6-12-18)23-24(22)20-15-9-4-10-16-20/h2-16H,17H2,1H3/t22-/m0/s1
InChIKeyXCIHOQHTGRLYFF-QFIPXVFZSA-N
XLogP5.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole?
The IUPAC name of (5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole (CID 7374228) is (5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole.
What is the SMILES notation for (5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole?
The canonical SMILES for (5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole is C[C@@]1(c2ccccc2)CC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of (5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole?
The InChIKey is XCIHOQHTGRLYFF-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H20N2/c1-22(19-13-7-3-8-14-19)17-21(18-11-5-2-6-12-18)23-24(22)20-15-9-4-10-16-20/h2-16H,17H2,1H3/t22-/m0/s1.
What are the key properties of (5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole?
(5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole has a molecular weight of 312.42 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole is sourced from PubChem (CID 7374228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).