3,3-difluoro-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide

C10H10F5N3O — CID 136539268

IUPAC3,3-difluoro-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)[nH]n1)C1CCC(F)(F)C1
InChIInChI=1S/C10H10F5N3O/c11-9(12)2-1-5(4-9)8(19)16-7-3-6(17-18-7)10(13,14)15/h3,5H,1-2,4H2,(H2,16,17,18,19)
InChIKeyRWVUQJPRUCDUDW-UHFFFAOYSA-N
MW283.20 g/mol
LogP2.80
Rot. Bonds2

About 3,3-difluoro-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide

3,3-difluoro-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide (PubChem CID 136539268) has the molecular formula C10H10F5N3O and a molecular weight of 283.20 g/mol. Its IUPAC name is 3,3-difluoro-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide
PubChem CID136539268
Molecular FormulaC10H10F5N3O
Molecular Weight283.20 g/mol
Exact Mass283.07
IUPAC Name3,3-difluoro-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)[nH]n1)C1CCC(F)(F)C1
InChIInChI=1S/C10H10F5N3O/c11-9(12)2-1-5(4-9)8(19)16-7-3-6(17-18-7)10(13,14)15/h3,5H,1-2,4H2,(H2,16,17,18,19)
InChIKeyRWVUQJPRUCDUDW-UHFFFAOYSA-N
XLogP2.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide (CID 136539268) is 3,3-difluoro-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide is O=C(Nc1cc(C(F)(F)F)[nH]n1)C1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide?
The InChIKey is RWVUQJPRUCDUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5N3O/c11-9(12)2-1-5(4-9)8(19)16-7-3-6(17-18-7)10(13,14)15/h3,5H,1-2,4H2,(H2,16,17,18,19).
What are the key properties of 3,3-difluoro-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide?
3,3-difluoro-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide has a molecular weight of 283.20 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 136539268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).