3,3-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]cyclopentane-1-carboxamide

C13H19F2N3O2 — CID 136539235

IUPAC3,3-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]cyclopentane-1-carboxamide
SMILESCOCCCn1ccc(NC(=O)C2CCC(F)(F)C2)n1
InChIInChI=1S/C13H19F2N3O2/c1-20-8-2-6-18-7-4-11(17-18)16-12(19)10-3-5-13(14,15)9-10/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,16,17,19)
InChIKeyDZAPGLHGPJGAEF-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.29
Rot. Bonds6

About 3,3-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]cyclopentane-1-carboxamide

3,3-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]cyclopentane-1-carboxamide (PubChem CID 136539235) has the molecular formula C13H19F2N3O2 and a molecular weight of 287.31 g/mol. Its IUPAC name is 3,3-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]cyclopentane-1-carboxamide
PubChem CID136539235
Molecular FormulaC13H19F2N3O2
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name3,3-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]cyclopentane-1-carboxamide
SMILESCOCCCn1ccc(NC(=O)C2CCC(F)(F)C2)n1
InChIInChI=1S/C13H19F2N3O2/c1-20-8-2-6-18-7-4-11(17-18)16-12(19)10-3-5-13(14,15)9-10/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,16,17,19)
InChIKeyDZAPGLHGPJGAEF-UHFFFAOYSA-N
XLogP2.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]cyclopentane-1-carboxamide (CID 136539235) is 3,3-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]cyclopentane-1-carboxamide is COCCCn1ccc(NC(=O)C2CCC(F)(F)C2)n1.
What is the InChIKey of 3,3-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]cyclopentane-1-carboxamide?
The InChIKey is DZAPGLHGPJGAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2/c1-20-8-2-6-18-7-4-11(17-18)16-12(19)10-3-5-13(14,15)9-10/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,16,17,19).
What are the key properties of 3,3-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]cyclopentane-1-carboxamide?
3,3-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]cyclopentane-1-carboxamide has a molecular weight of 287.31 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 136539235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).