5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole

C20H17N3 — CID 136607458

IUPAC5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole
SMILESCc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccn[nH]1
InChIInChI=1S/C20H17N3/c1-14-18(17-12-13-21-23-17)19(15-8-4-2-5-9-15)20(22-14)16-10-6-3-7-11-16/h2-13,22H,1H3,(H,21,23)
InChIKeyGMNXEEJYFFLMRH-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.05
Rot. Bonds3

About 5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole

5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole (PubChem CID 136607458) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole
PubChem CID136607458
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole
SMILESCc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccn[nH]1
InChIInChI=1S/C20H17N3/c1-14-18(17-12-13-21-23-17)19(15-8-4-2-5-9-15)20(22-14)16-10-6-3-7-11-16/h2-13,22H,1H3,(H,21,23)
InChIKeyGMNXEEJYFFLMRH-UHFFFAOYSA-N
XLogP5.05
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole?
The IUPAC name of 5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole (CID 136607458) is 5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole.
What is the SMILES notation for 5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole?
The canonical SMILES for 5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole is Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccn[nH]1.
What is the InChIKey of 5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole?
The InChIKey is GMNXEEJYFFLMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-14-18(17-12-13-21-23-17)19(15-8-4-2-5-9-15)20(22-14)16-10-6-3-7-11-16/h2-13,22H,1H3,(H,21,23).
What are the key properties of 5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole?
5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole has a molecular weight of 299.38 g/mol, XLogP of 5.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole is sourced from PubChem (CID 136607458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).