4-[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]-1H-pyrazole

C19H18N2 — CID 71187622

IUPAC4-[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]-1H-pyrazole
SMILESC[C@H]1Cc2ccc(-c3cn[nH]c3)cc2[C@@H]1c1ccccc1
InChIInChI=1S/C19H18N2/c1-13-9-16-8-7-15(17-11-20-21-12-17)10-18(16)19(13)14-5-3-2-4-6-14/h2-8,10-13,19H,9H2,1H3,(H,20,21)/t13-,19-/m0/s1
InChIKeyGTFXZSGTZSFDNY-DJJJIMSYSA-N
MW274.37 g/mol
LogP4.40
Rot. Bonds2

About 4-[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]-1H-pyrazole

4-[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]-1H-pyrazole (PubChem CID 71187622) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]-1H-pyrazole.

Molecular Properties

Compound Name4-[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]-1H-pyrazole
PubChem CID71187622
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name4-[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]-1H-pyrazole
SMILESC[C@H]1Cc2ccc(-c3cn[nH]c3)cc2[C@@H]1c1ccccc1
InChIInChI=1S/C19H18N2/c1-13-9-16-8-7-15(17-11-20-21-12-17)10-18(16)19(13)14-5-3-2-4-6-14/h2-8,10-13,19H,9H2,1H3,(H,20,21)/t13-,19-/m0/s1
InChIKeyGTFXZSGTZSFDNY-DJJJIMSYSA-N
XLogP4.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]-1H-pyrazole?
The IUPAC name of 4-[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]-1H-pyrazole (CID 71187622) is 4-[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]-1H-pyrazole.
What is the SMILES notation for 4-[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]-1H-pyrazole?
The canonical SMILES for 4-[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]-1H-pyrazole is C[C@H]1Cc2ccc(-c3cn[nH]c3)cc2[C@@H]1c1ccccc1.
What is the InChIKey of 4-[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]-1H-pyrazole?
The InChIKey is GTFXZSGTZSFDNY-DJJJIMSYSA-N. The full InChI is InChI=1S/C19H18N2/c1-13-9-16-8-7-15(17-11-20-21-12-17)10-18(16)19(13)14-5-3-2-4-6-14/h2-8,10-13,19H,9H2,1H3,(H,20,21)/t13-,19-/m0/s1.
What are the key properties of 4-[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]-1H-pyrazole?
4-[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]-1H-pyrazole has a molecular weight of 274.37 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]-1H-pyrazole is sourced from PubChem (CID 71187622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).