4-hydroxy-1-(4-methoxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-3-carboxamide

C18H19N3O4 — CID 75518303

IUPAC4-hydroxy-1-(4-methoxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-3-carboxamide
SMILESCOc1ccc(-n2cc(O)c(C(=O)N(C)Cc3ccoc3C)n2)cc1
InChIInChI=1S/C18H19N3O4/c1-12-13(8-9-25-12)10-20(2)18(23)17-16(22)11-21(19-17)14-4-6-15(24-3)7-5-14/h4-9,11,22H,10H2,1-3H3
InChIKeyPTOSKQAIBRXIRB-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.76
Rot. Bonds5

About 4-hydroxy-1-(4-methoxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-3-carboxamide

4-hydroxy-1-(4-methoxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 75518303) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methoxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(4-methoxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID75518303
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name4-hydroxy-1-(4-methoxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-3-carboxamide
SMILESCOc1ccc(-n2cc(O)c(C(=O)N(C)Cc3ccoc3C)n2)cc1
InChIInChI=1S/C18H19N3O4/c1-12-13(8-9-25-12)10-20(2)18(23)17-16(22)11-21(19-17)14-4-6-15(24-3)7-5-14/h4-9,11,22H,10H2,1-3H3
InChIKeyPTOSKQAIBRXIRB-UHFFFAOYSA-N
XLogP2.76
TPSA80.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methoxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(4-methoxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-3-carboxamide (CID 75518303) is 4-hydroxy-1-(4-methoxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(4-methoxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(4-methoxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-3-carboxamide is COc1ccc(-n2cc(O)c(C(=O)N(C)Cc3ccoc3C)n2)cc1.
What is the InChIKey of 4-hydroxy-1-(4-methoxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is PTOSKQAIBRXIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12-13(8-9-25-12)10-20(2)18(23)17-16(22)11-21(19-17)14-4-6-15(24-3)7-5-14/h4-9,11,22H,10H2,1-3H3.
What are the key properties of 4-hydroxy-1-(4-methoxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-3-carboxamide?
4-hydroxy-1-(4-methoxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methoxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 75518303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).