[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[(3R)-3-propan-2-yl-2,3-dihydroindol-1-yl]methanone

C17H19F2N3O2 — CID 129479738

IUPAC[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[(3R)-3-propan-2-yl-2,3-dihydroindol-1-yl]methanone
SMILESCC(C)[C@H]1CN(C(=O)c2cc(OC(F)F)n(C)n2)c2ccccc21
InChIInChI=1S/C17H19F2N3O2/c1-10(2)12-9-22(14-7-5-4-6-11(12)14)16(23)13-8-15(21(3)20-13)24-17(18)19/h4-8,10,12,17H,9H2,1-3H3/t12-/m1/s1
InChIKeyRXEDEASUDUFBRL-GFCCVEGCSA-N
MW335.35 g/mol
LogP3.42
Rot. Bonds4

About [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[(3R)-3-propan-2-yl-2,3-dihydroindol-1-yl]methanone

[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[(3R)-3-propan-2-yl-2,3-dihydroindol-1-yl]methanone (PubChem CID 129479738) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[(3R)-3-propan-2-yl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[(3R)-3-propan-2-yl-2,3-dihydroindol-1-yl]methanone
PubChem CID129479738
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[(3R)-3-propan-2-yl-2,3-dihydroindol-1-yl]methanone
SMILESCC(C)[C@H]1CN(C(=O)c2cc(OC(F)F)n(C)n2)c2ccccc21
InChIInChI=1S/C17H19F2N3O2/c1-10(2)12-9-22(14-7-5-4-6-11(12)14)16(23)13-8-15(21(3)20-13)24-17(18)19/h4-8,10,12,17H,9H2,1-3H3/t12-/m1/s1
InChIKeyRXEDEASUDUFBRL-GFCCVEGCSA-N
XLogP3.42
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-oxazol-2-yl-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone
CID 126830105
1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691469
(3-propan-2-yl-2,3-dihydroindol-1-yl)-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 166244451
[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone
CID 166272815
N-(2-methylpyrimidin-5-yl)-3-propan-2-yl-2,3-dihydroindole-1-carboxamide
CID 128612323
ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole
CID 177010741
1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691327
5-(difluoromethoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 167850440
N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide
CID 129399865
3-[2-oxo-2-[(3R)-3-propan-2-yl-2,3-dihydroindol-1-yl]ethyl]sulfanyl-1,4-dihydro-1,2,4-triazol-5-one
CID 137204470
(E)-1-[5-[5-(difluoromethoxy)-1-methylpyrazole-3-carbonyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-3-(1-methylpyrrol-3-yl)prop-2-en-1-one
CID 167847273
1-(1-methylimidazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 107971594

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[(3R)-3-propan-2-yl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[(3R)-3-propan-2-yl-2,3-dihydroindol-1-yl]methanone (CID 129479738) is [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[(3R)-3-propan-2-yl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[(3R)-3-propan-2-yl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[(3R)-3-propan-2-yl-2,3-dihydroindol-1-yl]methanone is CC(C)[C@H]1CN(C(=O)c2cc(OC(F)F)n(C)n2)c2ccccc21.
What is the InChIKey of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[(3R)-3-propan-2-yl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is RXEDEASUDUFBRL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-10(2)12-9-22(14-7-5-4-6-11(12)14)16(23)13-8-15(21(3)20-13)24-17(18)19/h4-8,10,12,17H,9H2,1-3H3/t12-/m1/s1.
What are the key properties of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[(3R)-3-propan-2-yl-2,3-dihydroindol-1-yl]methanone?
[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[(3R)-3-propan-2-yl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 335.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[(3R)-3-propan-2-yl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 129479738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).