1-(4-fluorophenyl)-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide

C18H16FN3O2 — CID 78816645

IUPAC1-(4-fluorophenyl)-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C18H16FN3O2/c1-11-17(18(24)20-14-4-3-5-16(23)10-14)12(2)22(21-11)15-8-6-13(19)7-9-15/h3-10,23H,1-2H3,(H,20,24)
InChIKeyQKQQZPLTIPWPLX-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.59
Rot. Bonds3

About 1-(4-fluorophenyl)-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 78816645) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID78816645
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name1-(4-fluorophenyl)-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C18H16FN3O2/c1-11-17(18(24)20-14-4-3-5-16(23)10-14)12(2)22(21-11)15-8-6-13(19)7-9-15/h3-10,23H,1-2H3,(H,20,24)
InChIKeyQKQQZPLTIPWPLX-UHFFFAOYSA-N
XLogP3.59
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide (CID 78816645) is 1-(4-fluorophenyl)-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cccc(O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is QKQQZPLTIPWPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-11-17(18(24)20-14-4-3-5-16(23)10-14)12(2)22(21-11)15-8-6-13(19)7-9-15/h3-10,23H,1-2H3,(H,20,24).
What are the key properties of 1-(4-fluorophenyl)-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 78816645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).