1-propyl-5-[3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]imidazol-4-yl]-2,3-dihydroindole

C23H31N5 — CID 46980341

IUPAC1-propyl-5-[3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]imidazol-4-yl]-2,3-dihydroindole
SMILESCCCN1CCc2cc(-c3cncn3C(C)Cc3c(C)nn(C)c3C)ccc21
InChIInChI=1S/C23H31N5/c1-6-10-27-11-9-20-13-19(7-8-22(20)27)23-14-24-15-28(23)16(2)12-21-17(3)25-26(5)18(21)4/h7-8,13-16H,6,9-12H2,1-5H3
InChIKeyQQZSJEGQRFUIEG-UHFFFAOYSA-N
MW377.54 g/mol
LogP4.48
Rot. Bonds6

About 1-propyl-5-[3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]imidazol-4-yl]-2,3-dihydroindole

1-propyl-5-[3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]imidazol-4-yl]-2,3-dihydroindole (PubChem CID 46980341) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is 1-propyl-5-[3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]imidazol-4-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-propyl-5-[3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]imidazol-4-yl]-2,3-dihydroindole
PubChem CID46980341
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC Name1-propyl-5-[3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]imidazol-4-yl]-2,3-dihydroindole
SMILESCCCN1CCc2cc(-c3cncn3C(C)Cc3c(C)nn(C)c3C)ccc21
InChIInChI=1S/C23H31N5/c1-6-10-27-11-9-20-13-19(7-8-22(20)27)23-14-24-15-28(23)16(2)12-21-17(3)25-26(5)18(21)4/h7-8,13-16H,6,9-12H2,1-5H3
InChIKeyQQZSJEGQRFUIEG-UHFFFAOYSA-N
XLogP4.48
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-[3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]imidazol-4-yl]-2,3-dihydroindole?
The IUPAC name of 1-propyl-5-[3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]imidazol-4-yl]-2,3-dihydroindole (CID 46980341) is 1-propyl-5-[3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]imidazol-4-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-propyl-5-[3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]imidazol-4-yl]-2,3-dihydroindole?
The canonical SMILES for 1-propyl-5-[3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]imidazol-4-yl]-2,3-dihydroindole is CCCN1CCc2cc(-c3cncn3C(C)Cc3c(C)nn(C)c3C)ccc21.
What is the InChIKey of 1-propyl-5-[3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]imidazol-4-yl]-2,3-dihydroindole?
The InChIKey is QQZSJEGQRFUIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5/c1-6-10-27-11-9-20-13-19(7-8-22(20)27)23-14-24-15-28(23)16(2)12-21-17(3)25-26(5)18(21)4/h7-8,13-16H,6,9-12H2,1-5H3.
What are the key properties of 1-propyl-5-[3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]imidazol-4-yl]-2,3-dihydroindole?
1-propyl-5-[3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]imidazol-4-yl]-2,3-dihydroindole has a molecular weight of 377.54 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-[3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]imidazol-4-yl]-2,3-dihydroindole is sourced from PubChem (CID 46980341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).