1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide

C16H14FN3O4 — CID 110004135

IUPAC1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide
SMILESO=C(NC(CO)c1ccco1)c1nn(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C16H14FN3O4/c17-10-3-5-11(6-4-10)20-8-13(22)15(19-20)16(23)18-12(9-21)14-2-1-7-24-14/h1-8,12,21-22H,9H2,(H,18,23)
InChIKeyNKUIEYXIJPNVMD-UHFFFAOYSA-N
MW331.30 g/mol
LogP1.77
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide

1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide (PubChem CID 110004135) has the molecular formula C16H14FN3O4 and a molecular weight of 331.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide
PubChem CID110004135
Molecular FormulaC16H14FN3O4
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC Name1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide
SMILESO=C(NC(CO)c1ccco1)c1nn(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C16H14FN3O4/c17-10-3-5-11(6-4-10)20-8-13(22)15(19-20)16(23)18-12(9-21)14-2-1-7-24-14/h1-8,12,21-22H,9H2,(H,18,23)
InChIKeyNKUIEYXIJPNVMD-UHFFFAOYSA-N
XLogP1.77
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide (CID 110004135) is 1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide is O=C(NC(CO)c1ccco1)c1nn(-c2ccc(F)cc2)cc1O.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide?
The InChIKey is NKUIEYXIJPNVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4/c17-10-3-5-11(6-4-10)20-8-13(22)15(19-20)16(23)18-12(9-21)14-2-1-7-24-14/h1-8,12,21-22H,9H2,(H,18,23).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide has a molecular weight of 331.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide is sourced from PubChem (CID 110004135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).