2-methyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)propanamide

C20H19N3O — CID 18415855

IUPAC2-methyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)Cc1c(-c3ccccc3)n[nH]c1-2
InChIInChI=1S/C20H19N3O/c1-12(2)20(24)21-15-8-9-16-14(10-15)11-17-18(22-23-19(16)17)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWZQIDOJLPGDHKR-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.24
Rot. Bonds3

About 2-methyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)propanamide

2-methyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)propanamide (PubChem CID 18415855) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-methyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)propanamide
PubChem CID18415855
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-methyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)Cc1c(-c3ccccc3)n[nH]c1-2
InChIInChI=1S/C20H19N3O/c1-12(2)20(24)21-15-8-9-16-14(10-15)11-17-18(22-23-19(16)17)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWZQIDOJLPGDHKR-UHFFFAOYSA-N
XLogP4.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)acetamide
CID 18416016
N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-methylbutanamide
CID 18415804
N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]benzamide
CID 18415776
acetic acid;1-(diethylamino)propan-2-yl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate
CID 18415837
N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]piperidine-1-carboxamide
CID 18415820
[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium
CID 2220327
N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide
CID 18415871
N-[3-[6-[(4-hydroxypiperidin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]acetamide
CID 10092521
3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole-6-carboxylic acid
CID 22058242
2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide
CID 58181448
2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate
CID 18415966
methyl 4-(6-prop-2-enoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzoate
CID 10020512

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)propanamide?
The IUPAC name of 2-methyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)propanamide (CID 18415855) is 2-methyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)propanamide?
The canonical SMILES for 2-methyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)propanamide is CC(C)C(=O)Nc1ccc2c(c1)Cc1c(-c3ccccc3)n[nH]c1-2.
What is the InChIKey of 2-methyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)propanamide?
The InChIKey is WZQIDOJLPGDHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-12(2)20(24)21-15-8-9-16-14(10-15)11-17-18(22-23-19(16)17)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-methyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)propanamide?
2-methyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)propanamide is sourced from PubChem (CID 18415855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).