5-(furan-2-yl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-1H-pyrazole-3-carboxamide

C18H19N3O4 — CID 86841396

IUPAC5-(furan-2-yl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-1H-pyrazole-3-carboxamide
SMILESCc1cccc(OCC(O)CNC(=O)c2cc(-c3ccco3)[nH]n2)c1
InChIInChI=1S/C18H19N3O4/c1-12-4-2-5-14(8-12)25-11-13(22)10-19-18(23)16-9-15(20-21-16)17-6-3-7-24-17/h2-9,13,22H,10-11H2,1H3,(H,19,23)(H,20,21)
InChIKeyRFCXEQXGTAVFHJ-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.15
Rot. Bonds7

About 5-(furan-2-yl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-1H-pyrazole-3-carboxamide (PubChem CID 86841396) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-1H-pyrazole-3-carboxamide
PubChem CID86841396
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name5-(furan-2-yl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-1H-pyrazole-3-carboxamide
SMILESCc1cccc(OCC(O)CNC(=O)c2cc(-c3ccco3)[nH]n2)c1
InChIInChI=1S/C18H19N3O4/c1-12-4-2-5-14(8-12)25-11-13(22)10-19-18(23)16-9-15(20-21-16)17-6-3-7-24-17/h2-9,13,22H,10-11H2,1H3,(H,19,23)(H,20,21)
InChIKeyRFCXEQXGTAVFHJ-UHFFFAOYSA-N
XLogP2.15
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 111115498
5-(furan-2-yl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 47156334
5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide
CID 109380983
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110904505
N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677836
N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677837
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 19513850
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062
5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-1H-pyrazole-3-carboxamide (CID 86841396) is 5-(furan-2-yl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-1H-pyrazole-3-carboxamide is Cc1cccc(OCC(O)CNC(=O)c2cc(-c3ccco3)[nH]n2)c1.
What is the InChIKey of 5-(furan-2-yl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-1H-pyrazole-3-carboxamide?
The InChIKey is RFCXEQXGTAVFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12-4-2-5-14(8-12)25-11-13(22)10-19-18(23)16-9-15(20-21-16)17-6-3-7-24-17/h2-9,13,22H,10-11H2,1H3,(H,19,23)(H,20,21).
What are the key properties of 5-(furan-2-yl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-1H-pyrazole-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 86841396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).