5-amino-3-(4-fluorophenyl)-1-(5-hydroxy-2-methylphenyl)pyrazole-4-carboxamide

C17H15FN4O2 — CID 171827480

IUPAC5-amino-3-(4-fluorophenyl)-1-(5-hydroxy-2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(O)cc1-n1nc(-c2ccc(F)cc2)c(C(N)=O)c1N
InChIInChI=1S/C17H15FN4O2/c1-9-2-7-12(23)8-13(9)22-16(19)14(17(20)24)15(21-22)10-3-5-11(18)6-4-10/h2-8,23H,19H2,1H3,(H2,20,24)
InChIKeyVBGHHNHIVVRIIF-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.37
Rot. Bonds3

About 5-amino-3-(4-fluorophenyl)-1-(5-hydroxy-2-methylphenyl)pyrazole-4-carboxamide

5-amino-3-(4-fluorophenyl)-1-(5-hydroxy-2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 171827480) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 5-amino-3-(4-fluorophenyl)-1-(5-hydroxy-2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(4-fluorophenyl)-1-(5-hydroxy-2-methylphenyl)pyrazole-4-carboxamide
PubChem CID171827480
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name5-amino-3-(4-fluorophenyl)-1-(5-hydroxy-2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(O)cc1-n1nc(-c2ccc(F)cc2)c(C(N)=O)c1N
InChIInChI=1S/C17H15FN4O2/c1-9-2-7-12(23)8-13(9)22-16(19)14(17(20)24)15(21-22)10-3-5-11(18)6-4-10/h2-8,23H,19H2,1H3,(H2,20,24)
InChIKeyVBGHHNHIVVRIIF-UHFFFAOYSA-N
XLogP2.37
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-fluorophenyl)-1-(5-hydroxy-2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(4-fluorophenyl)-1-(5-hydroxy-2-methylphenyl)pyrazole-4-carboxamide (CID 171827480) is 5-amino-3-(4-fluorophenyl)-1-(5-hydroxy-2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(4-fluorophenyl)-1-(5-hydroxy-2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(4-fluorophenyl)-1-(5-hydroxy-2-methylphenyl)pyrazole-4-carboxamide is Cc1ccc(O)cc1-n1nc(-c2ccc(F)cc2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-(4-fluorophenyl)-1-(5-hydroxy-2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is VBGHHNHIVVRIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-9-2-7-12(23)8-13(9)22-16(19)14(17(20)24)15(21-22)10-3-5-11(18)6-4-10/h2-8,23H,19H2,1H3,(H2,20,24).
What are the key properties of 5-amino-3-(4-fluorophenyl)-1-(5-hydroxy-2-methylphenyl)pyrazole-4-carboxamide?
5-amino-3-(4-fluorophenyl)-1-(5-hydroxy-2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-fluorophenyl)-1-(5-hydroxy-2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 171827480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).