N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide

C11H17F2N3O2 — CID 132970581

IUPACN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide
SMILESCOCC(C)(C)C(=O)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C11H17F2N3O2/c1-11(2,7-18-3)10(17)14-9-4-5-16(15-9)6-8(12)13/h4-5,8H,6-7H2,1-3H3,(H,14,15,17)
InChIKeyJEIKRLDNBWQJMS-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.76
Rot. Bonds6

About N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide

N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide (PubChem CID 132970581) has the molecular formula C11H17F2N3O2 and a molecular weight of 261.27 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide
PubChem CID132970581
Molecular FormulaC11H17F2N3O2
Molecular Weight261.27 g/mol
Exact Mass261.13
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide
SMILESCOCC(C)(C)C(=O)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C11H17F2N3O2/c1-11(2,7-18-3)10(17)14-9-4-5-16(15-9)6-8(12)13/h4-5,8H,6-7H2,1-3H3,(H,14,15,17)
InChIKeyJEIKRLDNBWQJMS-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide (CID 132970581) is N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide is COCC(C)(C)C(=O)Nc1ccn(CC(F)F)n1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide?
The InChIKey is JEIKRLDNBWQJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2/c1-11(2,7-18-3)10(17)14-9-4-5-16(15-9)6-8(12)13/h4-5,8H,6-7H2,1-3H3,(H,14,15,17).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide?
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide has a molecular weight of 261.27 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide is sourced from PubChem (CID 132970581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).