N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C8H11F3N4O2 — CID 103209623

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNc1[nH]ncc1CNC(=O)COCC(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c9-8(10,11)4-17-3-6(16)13-1-5-2-14-15-7(5)12/h2H,1,3-4H2,(H,13,16)(H3,12,14,15)
InChIKeyIQFQOICQUSVMPA-UHFFFAOYSA-N
MW252.20 g/mol
LogP0.19
Rot. Bonds5

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209623) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209623
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNc1[nH]ncc1CNC(=O)COCC(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c9-8(10,11)4-17-3-6(16)13-1-5-2-14-15-7(5)12/h2H,1,3-4H2,(H,13,16)(H3,12,14,15)
InChIKeyIQFQOICQUSVMPA-UHFFFAOYSA-N
XLogP0.19
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209623) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is Nc1[nH]ncc1CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is IQFQOICQUSVMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c9-8(10,11)4-17-3-6(16)13-1-5-2-14-15-7(5)12/h2H,1,3-4H2,(H,13,16)(H3,12,14,15).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 252.20 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).