N-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide

C20H25N3O — CID 86955324

IUPACN-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(CC1CCc2ccccc21)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C20H25N3O/c24-20(14-16-11-10-15-6-4-5-9-18(15)16)22-19-12-13-21-23(19)17-7-2-1-3-8-17/h4-6,9,12-13,16-17H,1-3,7-8,10-11,14H2,(H,22,24)
InChIKeyQMQUEGSWVSHRAL-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.45
Rot. Bonds4

About N-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide

N-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 86955324) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID86955324
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(CC1CCc2ccccc21)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C20H25N3O/c24-20(14-16-11-10-15-6-4-5-9-18(15)16)22-19-12-13-21-23(19)17-7-2-1-3-8-17/h4-6,9,12-13,16-17H,1-3,7-8,10-11,14H2,(H,22,24)
InChIKeyQMQUEGSWVSHRAL-UHFFFAOYSA-N
XLogP4.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide (CID 86955324) is N-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide is O=C(CC1CCc2ccccc21)Nc1ccnn1C1CCCCC1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is QMQUEGSWVSHRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(14-16-11-10-15-6-4-5-9-18(15)16)22-19-12-13-21-23(19)17-7-2-1-3-8-17/h4-6,9,12-13,16-17H,1-3,7-8,10-11,14H2,(H,22,24).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
N-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 86955324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).