[(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene

C20H21N5 — CID 136828025

IUPAC[(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene
SMILESCc1[nH]c2ccccc2c1/N=N/C1=C[C@H](C)N(C)N1c1ccccc1
InChIInChI=1S/C20H21N5/c1-14-13-19(25(24(14)3)16-9-5-4-6-10-16)22-23-20-15(2)21-18-12-8-7-11-17(18)20/h4-14,21H,1-3H3/b23-22+/t14-/m0/s1
InChIKeyXJUJIYDKQZUKFL-FAFWDCIRSA-N
MW331.42 g/mol
LogP5.16
Rot. Bonds3

About [(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene

[(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene (PubChem CID 136828025) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is [(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene.

Molecular Properties

Compound Name[(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene
PubChem CID136828025
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name[(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene
SMILESCc1[nH]c2ccccc2c1/N=N/C1=C[C@H](C)N(C)N1c1ccccc1
InChIInChI=1S/C20H21N5/c1-14-13-19(25(24(14)3)16-9-5-4-6-10-16)22-23-20-15(2)21-18-12-8-7-11-17(18)20/h4-14,21H,1-3H3/b23-22+/t14-/m0/s1
InChIKeyXJUJIYDKQZUKFL-FAFWDCIRSA-N
XLogP5.16
TPSA46.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[(3R)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene
CID 136877648
zinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride
CID 170853821
(2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 135851037
(2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 154722811
(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 2852535
(2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene
CID 135645807
(2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene
CID 137234432
2,3-dimethyl-1H-indole;molecular hydrogen
CID 142083168
2-methyl-3-phenylselanyl-1H-indole
CID 12843402
2,5-dimethyl-1-phenyl-3H-pyrazole-3-selenol
CID 171384384
2,3-dimethyl-1H-indole;ethane;1H-pyrrole
CID 159131567
2-methyl-3-(1-phenoxyethyl)-1H-indole
CID 67859918

Frequently Asked Questions

What is the IUPAC name of [(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene?
The IUPAC name of [(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene (CID 136828025) is [(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene.
What is the SMILES notation for [(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene?
The canonical SMILES for [(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene is Cc1[nH]c2ccccc2c1/N=N/C1=C[C@H](C)N(C)N1c1ccccc1.
What is the InChIKey of [(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene?
The InChIKey is XJUJIYDKQZUKFL-FAFWDCIRSA-N. The full InChI is InChI=1S/C20H21N5/c1-14-13-19(25(24(14)3)16-9-5-4-6-10-16)22-23-20-15(2)21-18-12-8-7-11-17(18)20/h4-14,21H,1-3H3/b23-22+/t14-/m0/s1.
What are the key properties of [(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene?
[(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene has a molecular weight of 331.42 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene is sourced from PubChem (CID 136828025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).