N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2-(furan-3-yl)acetamide

C17H23N3O3 — CID 126833967

IUPACN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2-(furan-3-yl)acetamide
SMILESCc1c(NC(=O)Cc2ccoc2)c(=O)n(C2CCCCC2)n1C
InChIInChI=1S/C17H23N3O3/c1-12-16(18-15(21)10-13-8-9-23-11-13)17(22)20(19(12)2)14-6-4-3-5-7-14/h8-9,11,14H,3-7,10H2,1-2H3,(H,18,21)
InChIKeyLCXFUZIBXSLIOM-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.77
Rot. Bonds4

About N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2-(furan-3-yl)acetamide

N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2-(furan-3-yl)acetamide (PubChem CID 126833967) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2-(furan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2-(furan-3-yl)acetamide
PubChem CID126833967
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2-(furan-3-yl)acetamide
SMILESCc1c(NC(=O)Cc2ccoc2)c(=O)n(C2CCCCC2)n1C
InChIInChI=1S/C17H23N3O3/c1-12-16(18-15(21)10-13-8-9-23-11-13)17(22)20(19(12)2)14-6-4-3-5-7-14/h8-9,11,14H,3-7,10H2,1-2H3,(H,18,21)
InChIKeyLCXFUZIBXSLIOM-UHFFFAOYSA-N
XLogP2.77
TPSA69.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2-(furan-3-yl)acetamide?
The IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2-(furan-3-yl)acetamide (CID 126833967) is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2-(furan-3-yl)acetamide.
What is the SMILES notation for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2-(furan-3-yl)acetamide?
The canonical SMILES for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2-(furan-3-yl)acetamide is Cc1c(NC(=O)Cc2ccoc2)c(=O)n(C2CCCCC2)n1C.
What is the InChIKey of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2-(furan-3-yl)acetamide?
The InChIKey is LCXFUZIBXSLIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-16(18-15(21)10-13-8-9-23-11-13)17(22)20(19(12)2)14-6-4-3-5-7-14/h8-9,11,14H,3-7,10H2,1-2H3,(H,18,21).
What are the key properties of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2-(furan-3-yl)acetamide?
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2-(furan-3-yl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2-(furan-3-yl)acetamide is sourced from PubChem (CID 126833967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).