1-(1H-imidazol-5-ylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydroindole

C17H16F3N5 — CID 59435318

IUPAC1-(1H-imidazol-5-ylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydroindole
SMILESCn1nc(C(F)(F)F)cc1-c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C17H16F3N5/c1-24-14(7-16(23-24)17(18,19)20)12-3-2-11-4-5-25(15(11)6-12)9-13-8-21-10-22-13/h2-3,6-8,10H,4-5,9H2,1H3,(H,21,22)
InChIKeyJOLHOIQIUCUHJG-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.39
Rot. Bonds3

About 1-(1H-imidazol-5-ylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydroindole

1-(1H-imidazol-5-ylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydroindole (PubChem CID 59435318) has the molecular formula C17H16F3N5 and a molecular weight of 347.34 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydroindole
PubChem CID59435318
Molecular FormulaC17H16F3N5
Molecular Weight347.34 g/mol
Exact Mass347.14
IUPAC Name1-(1H-imidazol-5-ylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydroindole
SMILESCn1nc(C(F)(F)F)cc1-c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C17H16F3N5/c1-24-14(7-16(23-24)17(18,19)20)12-3-2-11-4-5-25(15(11)6-12)9-13-8-21-10-22-13/h2-3,6-8,10H,4-5,9H2,1H3,(H,21,22)
InChIKeyJOLHOIQIUCUHJG-UHFFFAOYSA-N
XLogP3.39
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1H-imidazol-5-ylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydroindole with MolForge

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Related Compounds

1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole
CID 59435409
1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole
CID 59435411
1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole
CID 24951528
(E)-2-methyl-N-[(E)-2-methyl-3-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydroindol-1-yl]prop-1-enyl]but-1-en-1-amine
CID 143737270
1-(1H-imidazol-5-ylmethyl)-6-[1-(2-methoxyethyl)tetrazol-5-yl]-2,3-dihydroindole
CID 59435343
N-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide
CID 59435406
1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide
CID 59468734
1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea
CID 59468844
methyl N-ethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate
CID 59468790
1-(1H-imidazol-5-ylmethyl)-5-methoxy-2,3-dihydroindole
CID 24951527
N-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
CID 59468746
5-fluoro-1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole
CID 59468899

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydroindole?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydroindole (CID 59435318) is 1-(1H-imidazol-5-ylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydroindole?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydroindole is Cn1nc(C(F)(F)F)cc1-c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydroindole?
The InChIKey is JOLHOIQIUCUHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5/c1-24-14(7-16(23-24)17(18,19)20)12-3-2-11-4-5-25(15(11)6-12)9-13-8-21-10-22-13/h2-3,6-8,10H,4-5,9H2,1H3,(H,21,22).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydroindole?
1-(1H-imidazol-5-ylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydroindole has a molecular weight of 347.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydroindole is sourced from PubChem (CID 59435318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).