2-(2-chlorophenyl)-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1H-indole

C21H18ClN3 — CID 51035854

IUPAC2-(2-chlorophenyl)-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1H-indole
SMILESCn1nc(C2CC2)cc1-c1ccc2[nH]c(-c3ccccc3Cl)cc2c1
InChIInChI=1S/C21H18ClN3/c1-25-21(12-19(24-25)13-6-7-13)14-8-9-18-15(10-14)11-20(23-18)16-4-2-3-5-17(16)22/h2-5,8-13,23H,6-7H2,1H3
InChIKeyFTMFKUDJEZUJAI-UHFFFAOYSA-N
MW347.85 g/mol
LogP5.77
Rot. Bonds3

About 2-(2-chlorophenyl)-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1H-indole

2-(2-chlorophenyl)-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1H-indole (PubChem CID 51035854) has the molecular formula C21H18ClN3 and a molecular weight of 347.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1H-indole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1H-indole
PubChem CID51035854
Molecular FormulaC21H18ClN3
Molecular Weight347.85 g/mol
Exact Mass347.12
IUPAC Name2-(2-chlorophenyl)-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1H-indole
SMILESCn1nc(C2CC2)cc1-c1ccc2[nH]c(-c3ccccc3Cl)cc2c1
InChIInChI=1S/C21H18ClN3/c1-25-21(12-19(24-25)13-6-7-13)14-8-9-18-15(10-14)11-20(23-18)16-4-2-3-5-17(16)22/h2-5,8-13,23H,6-7H2,1H3
InChIKeyFTMFKUDJEZUJAI-UHFFFAOYSA-N
XLogP5.77
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.85
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1H-indole?
The IUPAC name of 2-(2-chlorophenyl)-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1H-indole (CID 51035854) is 2-(2-chlorophenyl)-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1H-indole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1H-indole?
The canonical SMILES for 2-(2-chlorophenyl)-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1H-indole is Cn1nc(C2CC2)cc1-c1ccc2[nH]c(-c3ccccc3Cl)cc2c1.
What is the InChIKey of 2-(2-chlorophenyl)-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1H-indole?
The InChIKey is FTMFKUDJEZUJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3/c1-25-21(12-19(24-25)13-6-7-13)14-8-9-18-15(10-14)11-20(23-18)16-4-2-3-5-17(16)22/h2-5,8-13,23H,6-7H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1H-indole?
2-(2-chlorophenyl)-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1H-indole has a molecular weight of 347.85 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1H-indole is sourced from PubChem (CID 51035854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).