N-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

C8H10F3N3O2 — CID 141470771

IUPACN-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCC(CO)NC(=O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-4(3-15)13-7(16)5-2-12-14-6(5)8(9,10)11/h2,4,15H,3H2,1H3,(H,12,14)(H,13,16)
InChIKeyZVXIRUIOTSCELU-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.54
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

N-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 141470771) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID141470771
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC NameN-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCC(CO)NC(=O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-4(3-15)13-7(16)5-2-12-14-6(5)8(9,10)11/h2,4,15H,3H2,1H3,(H,12,14)(H,13,16)
InChIKeyZVXIRUIOTSCELU-UHFFFAOYSA-N
XLogP0.54
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 141470771) is N-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is CC(CO)NC(=O)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ZVXIRUIOTSCELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-4(3-15)13-7(16)5-2-12-14-6(5)8(9,10)11/h2,4,15H,3H2,1H3,(H,12,14)(H,13,16).
What are the key properties of N-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
N-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 237.18 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 141470771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).