1H-inden-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

C19H16N2O — CID 157280431

IUPAC1H-inden-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(C1=Cc2ccccc2C1)N1N=CCC1c1ccccc1
InChIInChI=1S/C19H16N2O/c22-19(17-12-15-8-4-5-9-16(15)13-17)21-18(10-11-20-21)14-6-2-1-3-7-14/h1-9,11-12,18H,10,13H2
InChIKeyAZPGMZUSMSLUQF-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.59
Rot. Bonds2

About 1H-inden-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

1H-inden-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 157280431) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1H-inden-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Name1H-inden-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID157280431
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name1H-inden-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(C1=Cc2ccccc2C1)N1N=CCC1c1ccccc1
InChIInChI=1S/C19H16N2O/c22-19(17-12-15-8-4-5-9-16(15)13-17)21-18(10-11-20-21)14-6-2-1-3-7-14/h1-9,11-12,18H,10,13H2
InChIKeyAZPGMZUSMSLUQF-UHFFFAOYSA-N
XLogP3.59
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 131869061
CID 131869061
2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 122703691
ethyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate
CID 3079077
1H-inden-2-yl(pyrrolidin-1-yl)methanone
CID 166438542
2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 69478677
[4-methyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-phenylmethanone
CID 122703724
[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone
CID 168806655
(3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 929511
1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 167538208
2-(4-benzylpiperazin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 7354378
(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyrimidine-2-carbonyl)piperidin-4-yl]methanone
CID 122703779
(3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone
CID 150480580

Frequently Asked Questions

What is the IUPAC name of 1H-inden-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of 1H-inden-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (CID 157280431) is 1H-inden-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for 1H-inden-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for 1H-inden-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is O=C(C1=Cc2ccccc2C1)N1N=CCC1c1ccccc1.
What is the InChIKey of 1H-inden-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is AZPGMZUSMSLUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c22-19(17-12-15-8-4-5-9-16(15)13-17)21-18(10-11-20-21)14-6-2-1-3-7-14/h1-9,11-12,18H,10,13H2.
What are the key properties of 1H-inden-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
1H-inden-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 288.35 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 157280431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).