N-(5-ethyl-1H-pyrazol-3-yl)-3,3-difluorocyclopentane-1-carboxamide

C11H15F2N3O — CID 114094307

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-3,3-difluorocyclopentane-1-carboxamide
SMILESCCc1cc(NC(=O)C2CCC(F)(F)C2)n[nH]1
InChIInChI=1S/C11H15F2N3O/c1-2-8-5-9(16-15-8)14-10(17)7-3-4-11(12,13)6-7/h5,7H,2-4,6H2,1H3,(H2,14,15,16,17)
InChIKeyYKNWOPIBXUAGMF-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.35
Rot. Bonds3

About N-(5-ethyl-1H-pyrazol-3-yl)-3,3-difluorocyclopentane-1-carboxamide

N-(5-ethyl-1H-pyrazol-3-yl)-3,3-difluorocyclopentane-1-carboxamide (PubChem CID 114094307) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-3,3-difluorocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-3,3-difluorocyclopentane-1-carboxamide
PubChem CID114094307
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-3,3-difluorocyclopentane-1-carboxamide
SMILESCCc1cc(NC(=O)C2CCC(F)(F)C2)n[nH]1
InChIInChI=1S/C11H15F2N3O/c1-2-8-5-9(16-15-8)14-10(17)7-3-4-11(12,13)6-7/h5,7H,2-4,6H2,1H3,(H2,14,15,16,17)
InChIKeyYKNWOPIBXUAGMF-UHFFFAOYSA-N
XLogP2.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-3,3-difluorocyclopentane-1-carboxamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-3,3-difluorocyclopentane-1-carboxamide (CID 114094307) is N-(5-ethyl-1H-pyrazol-3-yl)-3,3-difluorocyclopentane-1-carboxamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-3,3-difluorocyclopentane-1-carboxamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-3,3-difluorocyclopentane-1-carboxamide is CCc1cc(NC(=O)C2CCC(F)(F)C2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-3,3-difluorocyclopentane-1-carboxamide?
The InChIKey is YKNWOPIBXUAGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-2-8-5-9(16-15-8)14-10(17)7-3-4-11(12,13)6-7/h5,7H,2-4,6H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-3,3-difluorocyclopentane-1-carboxamide?
N-(5-ethyl-1H-pyrazol-3-yl)-3,3-difluorocyclopentane-1-carboxamide has a molecular weight of 243.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-3,3-difluorocyclopentane-1-carboxamide is sourced from PubChem (CID 114094307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).