N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-phenylpyrazole-4-carboxamide

C20H19N3O2 — CID 111696391

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2c3ccccc3CC2O)cnn1-c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-13-17(12-21-23(13)15-8-3-2-4-9-15)20(25)22-19-16-10-6-5-7-14(16)11-18(19)24/h2-10,12,18-19,24H,11H2,1H3,(H,22,25)
InChIKeyRGFXIDJQBXWQTR-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.57
Rot. Bonds3

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 111696391) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID111696391
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2c3ccccc3CC2O)cnn1-c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-13-17(12-21-23(13)15-8-3-2-4-9-15)20(25)22-19-16-10-6-5-7-14(16)11-18(19)24/h2-10,12,18-19,24H,11H2,1H3,(H,22,25)
InChIKeyRGFXIDJQBXWQTR-UHFFFAOYSA-N
XLogP2.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-5-methylpyrazole-4-carboxamide
CID 97066451
5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119427580
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 84595206
cis-(1S,2R)-2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 146107820
2-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methylbenzamide
CID 103862955
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiophene-3-carboxamide
CID 97065228
2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 80711787
N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804181
2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 106509864
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-3-carboxamide
CID 103862965
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 65311609
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 111696391) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)NC2c3ccccc3CC2O)cnn1-c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is RGFXIDJQBXWQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-17(12-21-23(13)15-8-3-2-4-9-15)20(25)22-19-16-10-6-5-7-14(16)11-18(19)24/h2-10,12,18-19,24H,11H2,1H3,(H,22,25).
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 111696391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).