N-(2-ethyl-4,6-dimethylcyclohex-2-en-1-yl)-1-methyl-5-(2-methylpropoxy)pyrazole-4-carboxamide

C19H31N3O2 — CID 163658202

IUPACN-(2-ethyl-4,6-dimethylcyclohex-2-en-1-yl)-1-methyl-5-(2-methylpropoxy)pyrazole-4-carboxamide
SMILESCCC1=CC(C)CC(C)C1NC(=O)c1cnn(C)c1OCC(C)C
InChIInChI=1S/C19H31N3O2/c1-7-15-9-13(4)8-14(5)17(15)21-18(23)16-10-20-22(6)19(16)24-11-12(2)3/h9-10,12-14,17H,7-8,11H2,1-6H3,(H,21,23)
InChIKeyISBIVRNRYNBMCS-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.57
Rot. Bonds6

About N-(2-ethyl-4,6-dimethylcyclohex-2-en-1-yl)-1-methyl-5-(2-methylpropoxy)pyrazole-4-carboxamide

N-(2-ethyl-4,6-dimethylcyclohex-2-en-1-yl)-1-methyl-5-(2-methylpropoxy)pyrazole-4-carboxamide (PubChem CID 163658202) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-(2-ethyl-4,6-dimethylcyclohex-2-en-1-yl)-1-methyl-5-(2-methylpropoxy)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-4,6-dimethylcyclohex-2-en-1-yl)-1-methyl-5-(2-methylpropoxy)pyrazole-4-carboxamide
PubChem CID163658202
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-(2-ethyl-4,6-dimethylcyclohex-2-en-1-yl)-1-methyl-5-(2-methylpropoxy)pyrazole-4-carboxamide
SMILESCCC1=CC(C)CC(C)C1NC(=O)c1cnn(C)c1OCC(C)C
InChIInChI=1S/C19H31N3O2/c1-7-15-9-13(4)8-14(5)17(15)21-18(23)16-10-20-22(6)19(16)24-11-12(2)3/h9-10,12-14,17H,7-8,11H2,1-6H3,(H,21,23)
InChIKeyISBIVRNRYNBMCS-UHFFFAOYSA-N
XLogP3.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4,6-dimethylcyclohex-2-en-1-yl)-1-methyl-5-(2-methylpropoxy)pyrazole-4-carboxamide?
The IUPAC name of N-(2-ethyl-4,6-dimethylcyclohex-2-en-1-yl)-1-methyl-5-(2-methylpropoxy)pyrazole-4-carboxamide (CID 163658202) is N-(2-ethyl-4,6-dimethylcyclohex-2-en-1-yl)-1-methyl-5-(2-methylpropoxy)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-4,6-dimethylcyclohex-2-en-1-yl)-1-methyl-5-(2-methylpropoxy)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-ethyl-4,6-dimethylcyclohex-2-en-1-yl)-1-methyl-5-(2-methylpropoxy)pyrazole-4-carboxamide is CCC1=CC(C)CC(C)C1NC(=O)c1cnn(C)c1OCC(C)C.
What is the InChIKey of N-(2-ethyl-4,6-dimethylcyclohex-2-en-1-yl)-1-methyl-5-(2-methylpropoxy)pyrazole-4-carboxamide?
The InChIKey is ISBIVRNRYNBMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-7-15-9-13(4)8-14(5)17(15)21-18(23)16-10-20-22(6)19(16)24-11-12(2)3/h9-10,12-14,17H,7-8,11H2,1-6H3,(H,21,23).
What are the key properties of N-(2-ethyl-4,6-dimethylcyclohex-2-en-1-yl)-1-methyl-5-(2-methylpropoxy)pyrazole-4-carboxamide?
N-(2-ethyl-4,6-dimethylcyclohex-2-en-1-yl)-1-methyl-5-(2-methylpropoxy)pyrazole-4-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4,6-dimethylcyclohex-2-en-1-yl)-1-methyl-5-(2-methylpropoxy)pyrazole-4-carboxamide is sourced from PubChem (CID 163658202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).