4-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-methoxybutanamide

C10H16F2N4O2 — CID 120592698

IUPAC4-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C10H16F2N4O2/c1-18-8(3-13)2-10(17)15-7-4-14-16(5-7)6-9(11)12/h4-5,8-9H,2-3,6,13H2,1H3,(H,15,17)
InChIKeyVGXUPHAGCUXNIT-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.45
Rot. Bonds7

About 4-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-methoxybutanamide

4-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-methoxybutanamide (PubChem CID 120592698) has the molecular formula C10H16F2N4O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-methoxybutanamide
PubChem CID120592698
Molecular FormulaC10H16F2N4O2
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name4-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C10H16F2N4O2/c1-18-8(3-13)2-10(17)15-7-4-14-16(5-7)6-9(11)12/h4-5,8-9H,2-3,6,13H2,1H3,(H,15,17)
InChIKeyVGXUPHAGCUXNIT-UHFFFAOYSA-N
XLogP0.45
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-methoxybutanamide (CID 120592698) is 4-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-methoxybutanamide is COC(CN)CC(=O)Nc1cnn(CC(F)F)c1.
What is the InChIKey of 4-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-methoxybutanamide?
The InChIKey is VGXUPHAGCUXNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O2/c1-18-8(3-13)2-10(17)15-7-4-14-16(5-7)6-9(11)12/h4-5,8-9H,2-3,6,13H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-methoxybutanamide?
4-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-methoxybutanamide has a molecular weight of 262.26 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-methoxybutanamide is sourced from PubChem (CID 120592698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).