1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole

C20H21N3 — CID 141099377

IUPAC1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole
SMILESCc1nn(-c2ccccc2)c(C)c1CN1CCc2ccccc21
InChIInChI=1S/C20H21N3/c1-15-19(14-22-13-12-17-8-6-7-11-20(17)22)16(2)23(21-15)18-9-4-3-5-10-18/h3-11H,12-14H2,1-2H3
InChIKeyOPMJRMMJMPGCMS-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.05
Rot. Bonds3

About 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole

1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole (PubChem CID 141099377) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole
PubChem CID141099377
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole
SMILESCc1nn(-c2ccccc2)c(C)c1CN1CCc2ccccc21
InChIInChI=1S/C20H21N3/c1-15-19(14-22-13-12-17-8-6-7-11-20(17)22)16(2)23(21-15)18-9-4-3-5-10-18/h3-11H,12-14H2,1-2H3
InChIKeyOPMJRMMJMPGCMS-UHFFFAOYSA-N
XLogP4.05
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 110880028
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
1-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 19331795
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9225031
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
CID 86973582
6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909399
(4aS,7aS)-6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 129378900
N-(2,3-dihydro-1H-inden-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18103852
2-(2,3-dihydroindol-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82124117
4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,2-oxazole
CID 121174038
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane
CID 152764880

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole?
The IUPAC name of 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole (CID 141099377) is 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole?
The canonical SMILES for 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole is Cc1nn(-c2ccccc2)c(C)c1CN1CCc2ccccc21.
What is the InChIKey of 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole?
The InChIKey is OPMJRMMJMPGCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-15-19(14-22-13-12-17-8-6-7-11-20(17)22)16(2)23(21-15)18-9-4-3-5-10-18/h3-11H,12-14H2,1-2H3.
What are the key properties of 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole?
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole has a molecular weight of 303.41 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole is sourced from PubChem (CID 141099377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).