5-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole

C21H17F2N3 — CID 51035852

IUPAC5-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole
SMILESCn1nc(C2CC2)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C21H17F2N3/c1-26-20(11-18(25-26)12-5-6-12)13-7-8-17-14(9-13)10-19(24-17)21-15(22)3-2-4-16(21)23/h2-4,7-12,24H,5-6H2,1H3
InChIKeyHREVNYVLPPVJTD-UHFFFAOYSA-N
MW349.38 g/mol
LogP5.39
Rot. Bonds3

About 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole

5-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole (PubChem CID 51035852) has the molecular formula C21H17F2N3 and a molecular weight of 349.38 g/mol. Its IUPAC name is 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole.

Molecular Properties

Compound Name5-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole
PubChem CID51035852
Molecular FormulaC21H17F2N3
Molecular Weight349.38 g/mol
Exact Mass349.14
IUPAC Name5-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole
SMILESCn1nc(C2CC2)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C21H17F2N3/c1-26-20(11-18(25-26)12-5-6-12)13-7-8-17-14(9-13)10-19(24-17)21-15(22)3-2-4-16(21)23/h2-4,7-12,24H,5-6H2,1H3
InChIKeyHREVNYVLPPVJTD-UHFFFAOYSA-N
XLogP5.39
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.38
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole?
The IUPAC name of 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole (CID 51035852) is 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole.
What is the SMILES notation for 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole?
The canonical SMILES for 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole is Cn1nc(C2CC2)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.
What is the InChIKey of 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole?
The InChIKey is HREVNYVLPPVJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3/c1-26-20(11-18(25-26)12-5-6-12)13-7-8-17-14(9-13)10-19(24-17)21-15(22)3-2-4-16(21)23/h2-4,7-12,24H,5-6H2,1H3.
What are the key properties of 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole?
5-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole has a molecular weight of 349.38 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole is sourced from PubChem (CID 51035852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).