3-(4-fluorophenyl)-N-[2-(furan-3-yl)ethyl]-1-methylpyrazole-5-carboxamide

C17H16FN3O2 — CID 71798487

IUPAC3-(4-fluorophenyl)-N-[2-(furan-3-yl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1ccoc1
InChIInChI=1S/C17H16FN3O2/c1-21-16(17(22)19-8-6-12-7-9-23-11-12)10-15(20-21)13-2-4-14(18)5-3-13/h2-5,7,9-11H,6,8H2,1H3,(H,19,22)
InChIKeyOPYYGZAOHLJVMI-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.79
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[2-(furan-3-yl)ethyl]-1-methylpyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[2-(furan-3-yl)ethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 71798487) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(furan-3-yl)ethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(furan-3-yl)ethyl]-1-methylpyrazole-5-carboxamide
PubChem CID71798487
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name3-(4-fluorophenyl)-N-[2-(furan-3-yl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1ccoc1
InChIInChI=1S/C17H16FN3O2/c1-21-16(17(22)19-8-6-12-7-9-23-11-12)10-15(20-21)13-2-4-14(18)5-3-13/h2-5,7,9-11H,6,8H2,1H3,(H,19,22)
InChIKeyOPYYGZAOHLJVMI-UHFFFAOYSA-N
XLogP2.79
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(furan-3-yl)ethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(furan-3-yl)ethyl]-1-methylpyrazole-5-carboxamide (CID 71798487) is 3-(4-fluorophenyl)-N-[2-(furan-3-yl)ethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(furan-3-yl)ethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(furan-3-yl)ethyl]-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1ccoc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(furan-3-yl)ethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is OPYYGZAOHLJVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-21-16(17(22)19-8-6-12-7-9-23-11-12)10-15(20-21)13-2-4-14(18)5-3-13/h2-5,7,9-11H,6,8H2,1H3,(H,19,22).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(furan-3-yl)ethyl]-1-methylpyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[2-(furan-3-yl)ethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(furan-3-yl)ethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 71798487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).