1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde

C20H18N2O — CID 118279540

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde
SMILESCc1ccc(-c2nn(C3CCc4ccccc43)cc2C=O)cc1
InChIInChI=1S/C20H18N2O/c1-14-6-8-16(9-7-14)20-17(13-23)12-22(21-20)19-11-10-15-4-2-3-5-18(15)19/h2-9,12-13,19H,10-11H2,1H3
InChIKeyLZVOVKMOFUZXCE-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.21
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde

1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde (PubChem CID 118279540) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde
PubChem CID118279540
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde
SMILESCc1ccc(-c2nn(C3CCc4ccccc43)cc2C=O)cc1
InChIInChI=1S/C20H18N2O/c1-14-6-8-16(9-7-14)20-17(13-23)12-22(21-20)19-11-10-15-4-2-3-5-18(15)19/h2-9,12-13,19H,10-11H2,1H3
InChIKeyLZVOVKMOFUZXCE-UHFFFAOYSA-N
XLogP4.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-3-phenylpyrazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 166437666
1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde
CID 43324290
1-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 61270868
1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole
CID 153285823
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 1051907
1-cyclohexyl-3-(3,4-dichlorophenyl)pyrazole-4-carbaldehyde
CID 63566798
2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197951
5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 82120169
2-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-1-carbaldehyde
CID 174775577
2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone
CID 65408196
6-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carbaldehyde
CID 139402521
1-cycloheptyl-3-(3-fluorophenyl)pyrazole-4-carbaldehyde
CID 61270878

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde (CID 118279540) is 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde is Cc1ccc(-c2nn(C3CCc4ccccc43)cc2C=O)cc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde?
The InChIKey is LZVOVKMOFUZXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-14-6-8-16(9-7-14)20-17(13-23)12-22(21-20)19-11-10-15-4-2-3-5-18(15)19/h2-9,12-13,19H,10-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde?
1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde has a molecular weight of 302.38 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 118279540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).