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

C7H9F3N4O2 — CID 103205707

IUPACN-(4-amino-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNc1cn[nH]c1NC(=O)COCC(F)(F)F
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)3-16-2-5(15)13-6-4(11)1-12-14-6/h1H,2-3,11H2,(H2,12,13,14,15)
InChIKeyWWVDBMWTDGBBHZ-UHFFFAOYSA-N
MW238.17 g/mol
LogP0.51
Rot. Bonds4

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

N-(4-amino-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103205707) has the molecular formula C7H9F3N4O2 and a molecular weight of 238.17 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103205707
Molecular FormulaC7H9F3N4O2
Molecular Weight238.17 g/mol
Exact Mass238.07
IUPAC NameN-(4-amino-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNc1cn[nH]c1NC(=O)COCC(F)(F)F
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)3-16-2-5(15)13-6-4(11)1-12-14-6/h1H,2-3,11H2,(H2,12,13,14,15)
InChIKeyWWVDBMWTDGBBHZ-UHFFFAOYSA-N
XLogP0.51
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-amino-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103205707) is N-(4-amino-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-amino-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-amino-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide is Nc1cn[nH]c1NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(4-amino-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is WWVDBMWTDGBBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O2/c8-7(9,10)3-16-2-5(15)13-6-4(11)1-12-14-6/h1H,2-3,11H2,(H2,12,13,14,15).
What are the key properties of N-(4-amino-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-amino-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 238.17 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103205707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).