N-(3-ethyl-1-methylpyrazol-5-yl)-5-(2-fluorophenyl)furan-2-carboxamide

C17H16FN3O2 — CID 99269019

IUPACN-(3-ethyl-1-methylpyrazol-5-yl)-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCCc1cc(NC(=O)c2ccc(-c3ccccc3F)o2)n(C)n1
InChIInChI=1S/C17H16FN3O2/c1-3-11-10-16(21(2)20-11)19-17(22)15-9-8-14(23-15)12-6-4-5-7-13(12)18/h4-10H,3H2,1-2H3,(H,19,22)
InChIKeyJWXWQSGCAFQTBF-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.63
Rot. Bonds4

About N-(3-ethyl-1-methylpyrazol-5-yl)-5-(2-fluorophenyl)furan-2-carboxamide

N-(3-ethyl-1-methylpyrazol-5-yl)-5-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 99269019) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-5-yl)-5-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-5-yl)-5-(2-fluorophenyl)furan-2-carboxamide
PubChem CID99269019
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC NameN-(3-ethyl-1-methylpyrazol-5-yl)-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCCc1cc(NC(=O)c2ccc(-c3ccccc3F)o2)n(C)n1
InChIInChI=1S/C17H16FN3O2/c1-3-11-10-16(21(2)20-11)19-17(22)15-9-8-14(23-15)12-6-4-5-7-13(12)18/h4-10H,3H2,1-2H3,(H,19,22)
InChIKeyJWXWQSGCAFQTBF-UHFFFAOYSA-N
XLogP3.63
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-5-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-5-yl)-5-(2-fluorophenyl)furan-2-carboxamide (CID 99269019) is N-(3-ethyl-1-methylpyrazol-5-yl)-5-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-5-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-5-yl)-5-(2-fluorophenyl)furan-2-carboxamide is CCc1cc(NC(=O)c2ccc(-c3ccccc3F)o2)n(C)n1.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-5-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is JWXWQSGCAFQTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-3-11-10-16(21(2)20-11)19-17(22)15-9-8-14(23-15)12-6-4-5-7-13(12)18/h4-10H,3H2,1-2H3,(H,19,22).
What are the key properties of N-(3-ethyl-1-methylpyrazol-5-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
N-(3-ethyl-1-methylpyrazol-5-yl)-5-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-5-yl)-5-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 99269019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).