2,3-dihydro-1H-indol-5-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone

C16H19N3O2 — CID 114668397

IUPAC2,3-dihydro-1H-indol-5-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCOc1cnn(C(C)C)c1C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C16H19N3O2/c1-10(2)19-15(14(21-3)9-18-19)16(20)12-4-5-13-11(8-12)6-7-17-13/h4-5,8-10,17H,6-7H2,1-3H3
InChIKeyQUDSROWWJIGZAV-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.67
Rot. Bonds4

About 2,3-dihydro-1H-indol-5-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone

2,3-dihydro-1H-indol-5-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 114668397) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-5-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-5-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
PubChem CID114668397
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2,3-dihydro-1H-indol-5-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCOc1cnn(C(C)C)c1C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C16H19N3O2/c1-10(2)19-15(14(21-3)9-18-19)16(20)12-4-5-13-11(8-12)6-7-17-13/h4-5,8-10,17H,6-7H2,1-3H3
InChIKeyQUDSROWWJIGZAV-UHFFFAOYSA-N
XLogP2.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 114668416
2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone
CID 116554163
(3-chloro-4-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810617
(3-bromo-4-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114642208
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone
CID 116554235
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 114671097
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methanone
CID 114638804
2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116554152
2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone
CID 116554112
2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone
CID 116554090
(2-amino-3-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 107469171
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-5-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-5-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone (CID 114668397) is 2,3-dihydro-1H-indol-5-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-5-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-5-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone is COc1cnn(C(C)C)c1C(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 2,3-dihydro-1H-indol-5-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is QUDSROWWJIGZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10(2)19-15(14(21-3)9-18-19)16(20)12-4-5-13-11(8-12)6-7-17-13/h4-5,8-10,17H,6-7H2,1-3H3.
What are the key properties of 2,3-dihydro-1H-indol-5-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
2,3-dihydro-1H-indol-5-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-5-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 114668397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).