2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C8H10F3N3O2 — CID 141194089

IUPAC2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(CCO)c(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)7-5(1-2-15)3-14(13-7)4-6(12)16/h3,15H,1-2,4H2,(H2,12,16)
InChIKeySVBUCMUUAYMQGV-UHFFFAOYSA-N
MW237.18 g/mol
LogP-0.08
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide

2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 141194089) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID141194089
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(CCO)c(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)7-5(1-2-15)3-14(13-7)4-6(12)16/h3,15H,1-2,4H2,(H2,12,16)
InChIKeySVBUCMUUAYMQGV-UHFFFAOYSA-N
XLogP-0.08
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 141194089) is 2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide is NC(=O)Cn1cc(CCO)c(C(F)(F)F)n1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is SVBUCMUUAYMQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)7-5(1-2-15)3-14(13-7)4-6(12)16/h3,15H,1-2,4H2,(H2,12,16).
What are the key properties of 2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 237.18 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 141194089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).