1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)propan-1-one

C16H17N3O — CID 3821483

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)propan-1-one
SMILESCc1cc(C)n(C(=O)CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C16H17N3O/c1-11-9-12(2)19(18-11)16(20)8-7-13-10-17-15-6-4-3-5-14(13)15/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyMAMCXBULGLFKSW-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.25
Rot. Bonds3

About 1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)propan-1-one

1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)propan-1-one (PubChem CID 3821483) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)propan-1-one
PubChem CID3821483
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)propan-1-one
SMILESCc1cc(C)n(C(=O)CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C16H17N3O/c1-11-9-12(2)19(18-11)16(20)8-7-13-10-17-15-6-4-3-5-14(13)15/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyMAMCXBULGLFKSW-UHFFFAOYSA-N
XLogP3.25
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide
CID 47042483
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
1-(1H-indol-3-yl)hexan-3-one
CID 166814803
3-(1H-indol-3-yl)propanoyloxidanium
CID 142492757
3-(1H-indol-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 78915659
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994
1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
CID 43420925
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
N-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide
CID 19330998
3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 110102712
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)propan-1-one (CID 3821483) is 1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)propan-1-one is Cc1cc(C)n(C(=O)CCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is MAMCXBULGLFKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-9-12(2)19(18-11)16(20)8-7-13-10-17-15-6-4-3-5-14(13)15/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)propan-1-one?
1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 267.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 3821483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).