2-(3-aminopyrazol-1-yl)-2,2-difluoro-N-methylacetamide

C6H8F2N4O — CID 156900376

IUPAC2-(3-aminopyrazol-1-yl)-2,2-difluoro-N-methylacetamide
SMILESCNC(=O)C(F)(F)n1ccc(N)n1
InChIInChI=1S/C6H8F2N4O/c1-10-5(13)6(7,8)12-3-2-4(9)11-12/h2-3H,1H3,(H2,9,11)(H,10,13)
InChIKeyADJWOCQCIDWIQZ-UHFFFAOYSA-N
MW190.15 g/mol
LogP-0.24
Rot. Bonds2

About 2-(3-aminopyrazol-1-yl)-2,2-difluoro-N-methylacetamide

2-(3-aminopyrazol-1-yl)-2,2-difluoro-N-methylacetamide (PubChem CID 156900376) has the molecular formula C6H8F2N4O and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-2,2-difluoro-N-methylacetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-2,2-difluoro-N-methylacetamide
PubChem CID156900376
Molecular FormulaC6H8F2N4O
Molecular Weight190.15 g/mol
Exact Mass190.07
IUPAC Name2-(3-aminopyrazol-1-yl)-2,2-difluoro-N-methylacetamide
SMILESCNC(=O)C(F)(F)n1ccc(N)n1
InChIInChI=1S/C6H8F2N4O/c1-10-5(13)6(7,8)12-3-2-4(9)11-12/h2-3H,1H3,(H2,9,11)(H,10,13)
InChIKeyADJWOCQCIDWIQZ-UHFFFAOYSA-N
XLogP-0.24
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-1H-pyrazol-1-yl)acetamide
CID 45791969
2-(3-amino-1H-pyrazol-1-yl)-N,N-dimethylacetamide
CID 47003138
2-(3-amino-1H-pyrazol-1-yl)-N-methylacetamide
CID 60783095
2-(3-amino-1H-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 54594517
2,2-dimethyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]propanamide
CID 30541643
2-(1H-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 49670618
2-(3-amino-1H-pyrazol-1-yl)-N-ethylacetamide
CID 50987965
2-(3-amino-1H-pyrazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 53621876
3-(3-amino-1H-pyrazol-1-yl)propanamide
CID 54594234
1-Pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one
CID 86795461
(2S)-N-prop-2-ynyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
CID 97816231
1-[(2S)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanoyl]imidazolidin-2-one
CID 97835953

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-2,2-difluoro-N-methylacetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-2,2-difluoro-N-methylacetamide (CID 156900376) is 2-(3-aminopyrazol-1-yl)-2,2-difluoro-N-methylacetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-2,2-difluoro-N-methylacetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-2,2-difluoro-N-methylacetamide is CNC(=O)C(F)(F)n1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-2,2-difluoro-N-methylacetamide?
The InChIKey is ADJWOCQCIDWIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O/c1-10-5(13)6(7,8)12-3-2-4(9)11-12/h2-3H,1H3,(H2,9,11)(H,10,13).
What are the key properties of 2-(3-aminopyrazol-1-yl)-2,2-difluoro-N-methylacetamide?
2-(3-aminopyrazol-1-yl)-2,2-difluoro-N-methylacetamide has a molecular weight of 190.15 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-2,2-difluoro-N-methylacetamide is sourced from PubChem (CID 156900376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).