N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C8H11F3N4O — CID 78960488

IUPACN-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCc1cn[nH]c1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)5-12-4-7(16)13-1-6-2-14-15-3-6/h2-3,12H,1,4-5H2,(H,13,16)(H,14,15)
InChIKeyQSPXDEDJHZCMJC-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.18
Rot. Bonds5

About N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78960488) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78960488
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC NameN-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCc1cn[nH]c1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)5-12-4-7(16)13-1-6-2-14-15-3-6/h2-3,12H,1,4-5H2,(H,13,16)(H,14,15)
InChIKeyQSPXDEDJHZCMJC-UHFFFAOYSA-N
XLogP0.18
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78960488) is N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is QSPXDEDJHZCMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c9-8(10,11)5-12-4-7(16)13-1-6-2-14-15-3-6/h2-3,12H,1,4-5H2,(H,13,16)(H,14,15).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 236.20 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78960488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).