N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide

C9H12F3N3O3 — CID 170830021

IUPACN-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C9H12F3N3O3/c1-4(16)13-3-6(17)7(18)5-2-14-15-8(5)9(10,11)12/h2,6-7,17-18H,3H2,1H3,(H,13,16)(H,14,15)
InChIKeyFDSSJAHGXFDCEJ-UHFFFAOYSA-N
MW267.21 g/mol
LogP-0.04
Rot. Bonds4

About N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide

N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide (PubChem CID 170830021) has the molecular formula C9H12F3N3O3 and a molecular weight of 267.21 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide
PubChem CID170830021
Molecular FormulaC9H12F3N3O3
Molecular Weight267.21 g/mol
Exact Mass267.08
IUPAC NameN-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C9H12F3N3O3/c1-4(16)13-3-6(17)7(18)5-2-14-15-8(5)9(10,11)12/h2,6-7,17-18H,3H2,1H3,(H,13,16)(H,14,15)
InChIKeyFDSSJAHGXFDCEJ-UHFFFAOYSA-N
XLogP-0.04
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide
CID 170829471
N-[3-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide
CID 170829570
4-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]butane-1,2-diol
CID 171890180
N-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide
CID 170831436
1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
CID 141194095
N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide
CID 170830460
2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 131601570
N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829540
N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170831311
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
N-[2,3-dihydroxy-3-(1H-pyrazolo[4,5-b]pyridin-6-yl)propyl]acetamide
CID 170830236
methyl 4-amino-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]butanoate
CID 138046215

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide (CID 170830021) is N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide is CC(=O)NCC(O)C(O)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide?
The InChIKey is FDSSJAHGXFDCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O3/c1-4(16)13-3-6(17)7(18)5-2-14-15-8(5)9(10,11)12/h2,6-7,17-18H,3H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide?
N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide has a molecular weight of 267.21 g/mol, XLogP of -0.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide is sourced from PubChem (CID 170830021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).