N-(2-hydroxyethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C7H8F3N3O2 — CID 19508152

IUPACN-(2-hydroxyethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCCO)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)5-3-4(12-13-5)6(15)11-1-2-14/h3,14H,1-2H2,(H,11,15)(H,12,13)
InChIKeyZSTVPBPVKKBMIJ-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.15
Rot. Bonds3

About N-(2-hydroxyethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(2-hydroxyethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 19508152) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID19508152
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC NameN-(2-hydroxyethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCCO)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)5-3-4(12-13-5)6(15)11-1-2-14/h3,14H,1-2H2,(H,11,15)(H,12,13)
InChIKeyZSTVPBPVKKBMIJ-UHFFFAOYSA-N
XLogP0.15
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 19508152) is N-(2-hydroxyethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(NCCO)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-(2-hydroxyethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is ZSTVPBPVKKBMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c8-7(9,10)5-3-4(12-13-5)6(15)11-1-2-14/h3,14H,1-2H2,(H,11,15)(H,12,13).
What are the key properties of N-(2-hydroxyethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(2-hydroxyethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 223.15 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).