N-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide

C14H23N3O — CID 115881850

IUPACN-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C14H23N3O/c1-5-17-12(8-10(2)16-17)13(18)15-11-6-7-14(3,4)9-11/h8,11H,5-7,9H2,1-4H3,(H,15,18)
InChIKeyZCYKBPQFSSQACN-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.52
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide

N-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 115881850) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID115881850
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C14H23N3O/c1-5-17-12(8-10(2)16-17)13(18)15-11-6-7-14(3,4)9-11/h8,11H,5-7,9H2,1-4H3,(H,15,18)
InChIKeyZCYKBPQFSSQACN-UHFFFAOYSA-N
XLogP2.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119890
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 79711180
N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119695
2-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-5-methylpyrazole-3-carboxamide
CID 113344850
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]cycloheptane-1-carboxylate
CID 71972240
4-amino-N-(3,3-dimethylcyclopentyl)-1-propylpyrrole-2-carboxamide
CID 114542693
1-butyl-N-(3,3-dimethylcyclopentyl)-6-oxopyridazine-3-carboxamide
CID 115880517
2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylpyrazole-3-carboxamide
CID 103954364
5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid
CID 117218440
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114758986
N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide
CID 103885164
2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
CID 66128465

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide (CID 115881850) is N-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NC1CCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is ZCYKBPQFSSQACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-17-12(8-10(2)16-17)13(18)15-11-6-7-14(3,4)9-11/h8,11H,5-7,9H2,1-4H3,(H,15,18).
What are the key properties of N-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
N-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 115881850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).