N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide

C18H19N3O4 — CID 86848028

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)NCC(O)c2ccco2)n1
InChIInChI=1S/C18H19N3O4/c1-12-5-6-16(24-2)14(10-12)21-8-7-13(20-21)18(23)19-11-15(22)17-4-3-9-25-17/h3-10,15,22H,11H2,1-2H3,(H,19,23)
InChIKeyXHCDJNLCWKEJBQ-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.25
Rot. Bonds6

About N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide (PubChem CID 86848028) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
PubChem CID86848028
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)NCC(O)c2ccco2)n1
InChIInChI=1S/C18H19N3O4/c1-12-5-6-16(24-2)14(10-12)21-8-7-13(20-21)18(23)19-11-15(22)17-4-3-9-25-17/h3-10,15,22H,11H2,1-2H3,(H,19,23)
InChIKeyXHCDJNLCWKEJBQ-UHFFFAOYSA-N
XLogP2.25
TPSA89.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48672285
1-(2-methoxy-5-methylphenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide
CID 119430412
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide
CID 48652307
1-(2-methoxy-5-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide
CID 86848010
N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 111445526
N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 110907831
N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 78867802
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 120948333
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48650473
2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid
CID 119209514
N-[3-(difluoromethoxy)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48659408
1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide
CID 48647201

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide (CID 86848028) is N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide is COc1ccc(C)cc1-n1ccc(C(=O)NCC(O)c2ccco2)n1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is XHCDJNLCWKEJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12-5-6-16(24-2)14(10-12)21-8-7-13(20-21)18(23)19-11-15(22)17-4-3-9-25-17/h3-10,15,22H,11H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 86848028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).