2,2-difluoro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]acetamide

C11H17F2N3O2 — CID 3710091

IUPAC2,2-difluoro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]acetamide
SMILESCOC(C)(C)CCn1cc(NC(=O)C(F)F)cn1
InChIInChI=1S/C11H17F2N3O2/c1-11(2,18-3)4-5-16-7-8(6-14-16)15-10(17)9(12)13/h6-7,9H,4-5H2,1-3H3,(H,15,17)
InChIKeySSJJGIVINDKXDL-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.90
Rot. Bonds6

About 2,2-difluoro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]acetamide

2,2-difluoro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]acetamide (PubChem CID 3710091) has the molecular formula C11H17F2N3O2 and a molecular weight of 261.27 g/mol. Its IUPAC name is 2,2-difluoro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]acetamide
PubChem CID3710091
Molecular FormulaC11H17F2N3O2
Molecular Weight261.27 g/mol
Exact Mass261.13
IUPAC Name2,2-difluoro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]acetamide
SMILESCOC(C)(C)CCn1cc(NC(=O)C(F)F)cn1
InChIInChI=1S/C11H17F2N3O2/c1-11(2,18-3)4-5-16-7-8(6-14-16)15-10(17)9(12)13/h6-7,9H,4-5H2,1-3H3,(H,15,17)
InChIKeySSJJGIVINDKXDL-UHFFFAOYSA-N
XLogP1.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2,2-difluoro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]acetamide (CID 3710091) is 2,2-difluoro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]acetamide is COC(C)(C)CCn1cc(NC(=O)C(F)F)cn1.
What is the InChIKey of 2,2-difluoro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]acetamide?
The InChIKey is SSJJGIVINDKXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2/c1-11(2,18-3)4-5-16-7-8(6-14-16)15-10(17)9(12)13/h6-7,9H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 2,2-difluoro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]acetamide?
2,2-difluoro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]acetamide has a molecular weight of 261.27 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 3710091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).