2-(2,2-difluorocyclopropyl)-N-[3-(4,4-difluoropentan-2-yl)-1,4-dimethylpyrazol-5-yl]acetamide

C15H21F4N3O — CID 169169420

IUPAC2-(2,2-difluorocyclopropyl)-N-[3-(4,4-difluoropentan-2-yl)-1,4-dimethylpyrazol-5-yl]acetamide
SMILESCc1c(C(C)CC(C)(F)F)nn(C)c1NC(=O)CC1CC1(F)F
InChIInChI=1S/C15H21F4N3O/c1-8(6-14(3,16)17)12-9(2)13(22(4)21-12)20-11(23)5-10-7-15(10,18)19/h8,10H,5-7H2,1-4H3,(H,20,23)
InChIKeyCFBPNBBQOIRUIL-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.86
Rot. Bonds6

About 2-(2,2-difluorocyclopropyl)-N-[3-(4,4-difluoropentan-2-yl)-1,4-dimethylpyrazol-5-yl]acetamide

2-(2,2-difluorocyclopropyl)-N-[3-(4,4-difluoropentan-2-yl)-1,4-dimethylpyrazol-5-yl]acetamide (PubChem CID 169169420) has the molecular formula C15H21F4N3O and a molecular weight of 335.35 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)-N-[3-(4,4-difluoropentan-2-yl)-1,4-dimethylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)-N-[3-(4,4-difluoropentan-2-yl)-1,4-dimethylpyrazol-5-yl]acetamide
PubChem CID169169420
Molecular FormulaC15H21F4N3O
Molecular Weight335.35 g/mol
Exact Mass335.16
IUPAC Name2-(2,2-difluorocyclopropyl)-N-[3-(4,4-difluoropentan-2-yl)-1,4-dimethylpyrazol-5-yl]acetamide
SMILESCc1c(C(C)CC(C)(F)F)nn(C)c1NC(=O)CC1CC1(F)F
InChIInChI=1S/C15H21F4N3O/c1-8(6-14(3,16)17)12-9(2)13(22(4)21-12)20-11(23)5-10-7-15(10,18)19/h8,10H,5-7H2,1-4H3,(H,20,23)
InChIKeyCFBPNBBQOIRUIL-UHFFFAOYSA-N
XLogP3.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopropyl)-N-[3-(4,4-difluoropentan-2-yl)-1,4-dimethylpyrazol-5-yl]acetamide?
The IUPAC name of 2-(2,2-difluorocyclopropyl)-N-[3-(4,4-difluoropentan-2-yl)-1,4-dimethylpyrazol-5-yl]acetamide (CID 169169420) is 2-(2,2-difluorocyclopropyl)-N-[3-(4,4-difluoropentan-2-yl)-1,4-dimethylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)-N-[3-(4,4-difluoropentan-2-yl)-1,4-dimethylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)-N-[3-(4,4-difluoropentan-2-yl)-1,4-dimethylpyrazol-5-yl]acetamide is Cc1c(C(C)CC(C)(F)F)nn(C)c1NC(=O)CC1CC1(F)F.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)-N-[3-(4,4-difluoropentan-2-yl)-1,4-dimethylpyrazol-5-yl]acetamide?
The InChIKey is CFBPNBBQOIRUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4N3O/c1-8(6-14(3,16)17)12-9(2)13(22(4)21-12)20-11(23)5-10-7-15(10,18)19/h8,10H,5-7H2,1-4H3,(H,20,23).
What are the key properties of 2-(2,2-difluorocyclopropyl)-N-[3-(4,4-difluoropentan-2-yl)-1,4-dimethylpyrazol-5-yl]acetamide?
2-(2,2-difluorocyclopropyl)-N-[3-(4,4-difluoropentan-2-yl)-1,4-dimethylpyrazol-5-yl]acetamide has a molecular weight of 335.35 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopropyl)-N-[3-(4,4-difluoropentan-2-yl)-1,4-dimethylpyrazol-5-yl]acetamide is sourced from PubChem (CID 169169420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).