N-[2-(4-aminopyrazol-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide

C8H10F4N4O — CID 114032446

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide
SMILESNc1cnn(CCNC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C8H10F4N4O/c9-6(10)8(11,12)7(17)14-1-2-16-4-5(13)3-15-16/h3-4,6H,1-2,13H2,(H,14,17)
InChIKeyKRRBYIVBKHSPOJ-UHFFFAOYSA-N
MW254.19 g/mol
LogP0.48
Rot. Bonds5

About N-[2-(4-aminopyrazol-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 114032446) has the molecular formula C8H10F4N4O and a molecular weight of 254.19 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide
PubChem CID114032446
Molecular FormulaC8H10F4N4O
Molecular Weight254.19 g/mol
Exact Mass254.08
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide
SMILESNc1cnn(CCNC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C8H10F4N4O/c9-6(10)8(11,12)7(17)14-1-2-16-4-5(13)3-15-16/h3-4,6H,1-2,13H2,(H,14,17)
InChIKeyKRRBYIVBKHSPOJ-UHFFFAOYSA-N
XLogP0.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-1H-pyrazol-1-yl)-N-methylacetamide
CID 28065173
2-(4-amino-1H-pyrazol-1-yl)acetamide
CID 28373947
2-(4-amino-1H-pyrazol-1-yl)-N-cyclopropylacetamide
CID 28373958
2-(4-amino-1H-pyrazol-1-yl)-N,N-dimethylacetamide
CID 28280666
2-(4-amino-1H-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 28379290
1-(1-Methyl-1H-pyrazol-4-yl)-2-piperazinone
CID 64263444
5-(4-Amino-1H-pyrazol-1-YL)piperidin-2-one
CID 67076055
3-(4-amino-1H-pyrazol-1-yl)pyrrolidin-2-one
CID 137698641
2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 71979170
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 71984828
3,3-dimethyl-N-(1-methylpyrazol-4-yl)butanamide
CID 45882619
2-(4-amino-1H-pyrazol-1-yl)-N-(cyanomethyl)acetamide
CID 28373998

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide (CID 114032446) is N-[2-(4-aminopyrazol-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide is Nc1cnn(CCNC(=O)C(F)(F)C(F)F)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is KRRBYIVBKHSPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N4O/c9-6(10)8(11,12)7(17)14-1-2-16-4-5(13)3-15-16/h3-4,6H,1-2,13H2,(H,14,17).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 254.19 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 114032446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).