N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide

C14H23N3O — CID 134796439

IUPACN-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide
SMILESCn1nc(C2CCCC2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-14(2,3)13(18)15-12-9-11(16-17(12)4)10-7-5-6-8-10/h9-10H,5-8H2,1-4H3,(H,15,18)
InChIKeyPQNMOMFKUPIHJZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.06
Rot. Bonds2

About N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide

N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide (PubChem CID 134796439) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide
PubChem CID134796439
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide
SMILESCn1nc(C2CCCC2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-14(2,3)13(18)15-12-9-11(16-17(12)4)10-7-5-6-8-10/h9-10H,5-8H2,1-4H3,(H,15,18)
InChIKeyPQNMOMFKUPIHJZ-UHFFFAOYSA-N
XLogP3.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide (CID 134796439) is N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide is Cn1nc(C2CCCC2)cc1NC(=O)C(C)(C)C.
What is the InChIKey of N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide?
The InChIKey is PQNMOMFKUPIHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,3)13(18)15-12-9-11(16-17(12)4)10-7-5-6-8-10/h9-10H,5-8H2,1-4H3,(H,15,18).
What are the key properties of N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide?
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide has a molecular weight of 249.36 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 134796439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).