1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide

C20H15FN4O2 — CID 1053454

IUPAC1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(-c2ccco2)nn1-c1ccc(F)cc1
InChIInChI=1S/C20H15FN4O2/c21-15-3-5-16(6-4-15)25-18(12-17(24-25)19-2-1-11-27-19)20(26)23-13-14-7-9-22-10-8-14/h1-12H,13H2,(H,23,26)
InChIKeyBMLQYPVAHFOJHE-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.60
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide

1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide (PubChem CID 1053454) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
PubChem CID1053454
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(-c2ccco2)nn1-c1ccc(F)cc1
InChIInChI=1S/C20H15FN4O2/c21-15-3-5-16(6-4-15)25-18(12-17(24-25)19-2-1-11-27-19)20(26)23-13-14-7-9-22-10-8-14/h1-12H,13H2,(H,23,26)
InChIKeyBMLQYPVAHFOJHE-UHFFFAOYSA-N
XLogP3.60
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide (CID 1053454) is 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide is O=C(NCc1ccncc1)c1cc(-c2ccco2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is BMLQYPVAHFOJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c21-15-3-5-16(6-4-15)25-18(12-17(24-25)19-2-1-11-27-19)20(26)23-13-14-7-9-22-10-8-14/h1-12H,13H2,(H,23,26).
What are the key properties of 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 1053454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).