3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanamide

C12H12ClN3O3 — CID 171869553

IUPAC3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O3/c13-7-3-1-6(2-4-7)9-8(5-15-16-9)10(17)11(18)12(14)19/h1-5,10-11,17-18H,(H2,14,19)(H,15,16)
InChIKeyJTSCMSSJOPAEQM-UHFFFAOYSA-N
MW281.70 g/mol
LogP0.61
Rot. Bonds4

About 3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanamide

3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanamide (PubChem CID 171869553) has the molecular formula C12H12ClN3O3 and a molecular weight of 281.70 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanamide
PubChem CID171869553
Molecular FormulaC12H12ClN3O3
Molecular Weight281.70 g/mol
Exact Mass281.06
IUPAC Name3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O3/c13-7-3-1-6(2-4-7)9-8(5-15-16-9)10(17)11(18)12(14)19/h1-5,10-11,17-18H,(H2,14,19)(H,15,16)
InChIKeyJTSCMSSJOPAEQM-UHFFFAOYSA-N
XLogP0.61
TPSA112.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxy-3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid
CID 170824711
3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanenitrile
CID 171871621
3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867764
3,4-dihydroxy-4-(5-phenyl-1H-pyrazol-4-yl)butanoic acid
CID 171878430
ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
CID 22831657
3-bromo-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propane-1,2-diol
CID 171861357
3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide
CID 171868242
3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid
CID 170823402
4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine
CID 160851614
3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide
CID 171867605
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride
CID 53444369
3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867980

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanamide (CID 171869553) is 3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanamide?
The InChIKey is JTSCMSSJOPAEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3/c13-7-3-1-6(2-4-7)9-8(5-15-16-9)10(17)11(18)12(14)19/h1-5,10-11,17-18H,(H2,14,19)(H,15,16).
What are the key properties of 3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanamide?
3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanamide has a molecular weight of 281.70 g/mol, XLogP of 0.61, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanamide is sourced from PubChem (CID 171869553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).