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

C17H17N3O4 — CID 111115498

IUPAC5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)c2cc(-c3ccco3)[nH]n2)c1
InChIInChI=1S/C17H17N3O4/c1-23-12-5-2-4-11(8-12)15(21)10-18-17(22)14-9-13(19-20-14)16-6-3-7-24-16/h2-9,15,21H,10H2,1H3,(H,18,22)(H,19,20)
InChIKeyXGUMWVZUOYOVGL-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.14
Rot. Bonds6

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

5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 111115498) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID111115498
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)c2cc(-c3ccco3)[nH]n2)c1
InChIInChI=1S/C17H17N3O4/c1-23-12-5-2-4-11(8-12)15(21)10-18-17(22)14-9-13(19-20-14)16-6-3-7-24-16/h2-9,15,21H,10H2,1H3,(H,18,22)(H,19,20)
InChIKeyXGUMWVZUOYOVGL-UHFFFAOYSA-N
XLogP2.14
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 111115525
5-(furan-2-yl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-1H-pyrazole-3-carboxamide
CID 86841396
5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 19513850
5-(furan-2-yl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1H-pyrazole-3-carboxamide
CID 167763561
6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 111115461
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
CID 86984728
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
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
5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide
CID 109380983

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide (CID 111115498) is 5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide is COc1cccc(C(O)CNC(=O)c2cc(-c3ccco3)[nH]n2)c1.
What is the InChIKey of 5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is XGUMWVZUOYOVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-23-12-5-2-4-11(8-12)15(21)10-18-17(22)14-9-13(19-20-14)16-6-3-7-24-16/h2-9,15,21H,10H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.14, 6 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-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 111115498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).