N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2,5-dimethyloxolane-3-carboxamide

C18H29N3O3 — CID 140689754

IUPACN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2,5-dimethyloxolane-3-carboxamide
SMILESCc1c(NC(=O)C2CC(C)OC2C)c(=O)n(C2CCCCC2)n1C
InChIInChI=1S/C18H29N3O3/c1-11-10-15(13(3)24-11)17(22)19-16-12(2)20(4)21(18(16)23)14-8-6-5-7-9-14/h11,13-15H,5-10H2,1-4H3,(H,19,22)
InChIKeyYFCJXTPFWYWPRH-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.75
Rot. Bonds3

About N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2,5-dimethyloxolane-3-carboxamide

N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2,5-dimethyloxolane-3-carboxamide (PubChem CID 140689754) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2,5-dimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2,5-dimethyloxolane-3-carboxamide
PubChem CID140689754
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2,5-dimethyloxolane-3-carboxamide
SMILESCc1c(NC(=O)C2CC(C)OC2C)c(=O)n(C2CCCCC2)n1C
InChIInChI=1S/C18H29N3O3/c1-11-10-15(13(3)24-11)17(22)19-16-12(2)20(4)21(18(16)23)14-8-6-5-7-9-14/h11,13-15H,5-10H2,1-4H3,(H,19,22)
InChIKeyYFCJXTPFWYWPRH-UHFFFAOYSA-N
XLogP2.75
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2,5-dimethyloxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2,5-dimethyloxolane-3-carboxamide?
The IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2,5-dimethyloxolane-3-carboxamide (CID 140689754) is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2,5-dimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2,5-dimethyloxolane-3-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2,5-dimethyloxolane-3-carboxamide is Cc1c(NC(=O)C2CC(C)OC2C)c(=O)n(C2CCCCC2)n1C.
What is the InChIKey of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2,5-dimethyloxolane-3-carboxamide?
The InChIKey is YFCJXTPFWYWPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-11-10-15(13(3)24-11)17(22)19-16-12(2)20(4)21(18(16)23)14-8-6-5-7-9-14/h11,13-15H,5-10H2,1-4H3,(H,19,22).
What are the key properties of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2,5-dimethyloxolane-3-carboxamide?
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2,5-dimethyloxolane-3-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.75, 3 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)-2,5-dimethyloxolane-3-carboxamide is sourced from PubChem (CID 140689754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).