3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide

C17H17N3O3 — CID 110682270

IUPAC3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(-c2ccco2)n[nH]c1C
InChIInChI=1S/C17H17N3O3/c1-11-15(16(20-19-11)14-8-5-9-23-14)17(21)18-10-12-6-3-4-7-13(12)22-2/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyPDENDWORKYAEER-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.92
Rot. Bonds5

About 3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide

3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 110682270) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID110682270
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(-c2ccco2)n[nH]c1C
InChIInChI=1S/C17H17N3O3/c1-11-15(16(20-19-11)14-8-5-9-23-14)17(21)18-10-12-6-3-4-7-13(12)22-2/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyPDENDWORKYAEER-UHFFFAOYSA-N
XLogP2.92
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682416
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 121023123
N-(4-chlorophenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 110682329
4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076883
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 84602258
2-N-(furan-2-ylmethyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085151
3-(3,4-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918354
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109254883
5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 110908938
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258
N-[(2-methoxyphenyl)methyl]-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370200

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 110682270) is 3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is COc1ccccc1CNC(=O)c1c(-c2ccco2)n[nH]c1C.
What is the InChIKey of 3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is PDENDWORKYAEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11-15(16(20-19-11)14-8-5-9-23-14)17(21)18-10-12-6-3-4-7-13(12)22-2/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110682270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).