N-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide

C14H16FN3O3 — CID 170831436

IUPACN-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C14H16FN3O3/c1-8(19)16-7-12(20)14(21)11-6-17-18-13(11)9-3-2-4-10(15)5-9/h2-6,12,14,20-21H,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyLKHBDBISFGNXIH-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.75
Rot. Bonds5

About N-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide

N-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide (PubChem CID 170831436) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is N-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide
PubChem CID170831436
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC NameN-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C14H16FN3O3/c1-8(19)16-7-12(20)14(21)11-6-17-18-13(11)9-3-2-4-10(15)5-9/h2-6,12,14,20-21H,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyLKHBDBISFGNXIH-UHFFFAOYSA-N
XLogP0.75
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]carbamate
CID 170833493
N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide
CID 170829471
N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide
CID 170830021
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone
CID 105455963
N-[3-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide
CID 170829570
4-ethyl-5-(3-fluorophenyl)-1H-pyrazole
CID 143699505
3,4-dihydroxy-4-(5-phenyl-1H-pyrazol-4-yl)butanoic acid
CID 171878430
N-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829944
3-bromo-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propane-1,2-diol
CID 171861357
N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829540
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
N-[2,3-dihydroxy-3-(2-phenylphenyl)propyl]acetamide
CID 170830860

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide (CID 170831436) is N-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1cn[nH]c1-c1cccc(F)c1.
What is the InChIKey of N-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide?
The InChIKey is LKHBDBISFGNXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-8(19)16-7-12(20)14(21)11-6-17-18-13(11)9-3-2-4-10(15)5-9/h2-6,12,14,20-21H,7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide?
N-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide has a molecular weight of 293.30 g/mol, XLogP of 0.75, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170831436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).