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

C5H5F3N4O — CID 107335224

IUPACN-(4-amino-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide
SMILESNc1cn[nH]c1NC(=O)C(F)(F)F
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)4(13)11-3-2(9)1-10-12-3/h1H,9H2,(H2,10,11,12,13)
InChIKeySXCZKLYIQRGMIX-UHFFFAOYSA-N
MW194.12 g/mol
LogP0.49
Rot. Bonds1

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

N-(4-amino-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide (PubChem CID 107335224) has the molecular formula C5H5F3N4O and a molecular weight of 194.12 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide
PubChem CID107335224
Molecular FormulaC5H5F3N4O
Molecular Weight194.12 g/mol
Exact Mass194.04
IUPAC NameN-(4-amino-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide
SMILESNc1cn[nH]c1NC(=O)C(F)(F)F
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)4(13)11-3-2(9)1-10-12-3/h1H,9H2,(H2,10,11,12,13)
InChIKeySXCZKLYIQRGMIX-UHFFFAOYSA-N
XLogP0.49
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-amino-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide (CID 107335224) is N-(4-amino-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-amino-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-amino-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide is Nc1cn[nH]c1NC(=O)C(F)(F)F.
What is the InChIKey of N-(4-amino-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide?
The InChIKey is SXCZKLYIQRGMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4O/c6-5(7,8)4(13)11-3-2(9)1-10-12-3/h1H,9H2,(H2,10,11,12,13).
What are the key properties of N-(4-amino-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide?
N-(4-amino-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide has a molecular weight of 194.12 g/mol, XLogP of 0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 107335224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).