(2-methyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C16H19N3O — CID 47322681

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2c3ccccc3CC2C)n[nH]1
InChIInChI=1S/C16H19N3O/c1-10(2)13-9-14(18-17-13)16(20)19-11(3)8-12-6-4-5-7-15(12)19/h4-7,9-11H,8H2,1-3H3,(H,17,18)
InChIKeyKLPWGCOSGMTOQA-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.12
Rot. Bonds2

About (2-methyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

(2-methyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 47322681) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID47322681
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2c3ccccc3CC2C)n[nH]1
InChIInChI=1S/C16H19N3O/c1-10(2)13-9-14(18-17-13)16(20)19-11(3)8-12-6-4-5-7-15(12)19/h4-7,9-11H,8H2,1-3H3,(H,17,18)
InChIKeyKLPWGCOSGMTOQA-UHFFFAOYSA-N
XLogP3.12
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one
CID 136655090
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62075475
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109095538
[5-(methylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 107374043
(2-methyl-2,3-dihydroindol-1-yl)-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]methanone
CID 109130258
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid
CID 43427178
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 47322681) is (2-methyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2c3ccccc3CC2C)n[nH]1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is KLPWGCOSGMTOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10(2)13-9-14(18-17-13)16(20)19-11(3)8-12-6-4-5-7-15(12)19/h4-7,9-11H,8H2,1-3H3,(H,17,18).
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
(2-methyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 269.35 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 47322681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).