5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide

C15H13N3O3 — CID 19513850

IUPAC5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3ccco3)[nH]n2)c1
InChIInChI=1S/C15H13N3O3/c1-20-11-5-2-4-10(8-11)16-15(19)13-9-12(17-18-13)14-6-3-7-21-14/h2-9H,1H3,(H,16,19)(H,17,18)
InChIKeyGGJMYSJTAMVEPX-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.93
Rot. Bonds4

About 5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide (PubChem CID 19513850) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
PubChem CID19513850
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3ccco3)[nH]n2)c1
InChIInChI=1S/C15H13N3O3/c1-20-11-5-2-4-10(8-11)16-15(19)13-9-12(17-18-13)14-6-3-7-21-14/h2-9H,1H3,(H,16,19)(H,17,18)
InChIKeyGGJMYSJTAMVEPX-UHFFFAOYSA-N
XLogP2.93
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide (CID 19513850) is 5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide is COc1cccc(NC(=O)c2cc(-c3ccco3)[nH]n2)c1.
What is the InChIKey of 5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is GGJMYSJTAMVEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-20-11-5-2-4-10(8-11)16-15(19)13-9-12(17-18-13)14-6-3-7-21-14/h2-9H,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19513850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).