1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide

C11H10FN3O2 — CID 71975489

IUPAC1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1cc(O)c(C(N)=O)n1
InChIInChI=1S/C11H10FN3O2/c1-6-4-7(12)2-3-8(6)15-5-9(16)10(14-15)11(13)17/h2-5,16H,1H3,(H2,13,17)
InChIKeyMSALIMOJXNMYDN-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.12
Rot. Bonds2

About 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide

1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide (PubChem CID 71975489) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
PubChem CID71975489
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1cc(O)c(C(N)=O)n1
InChIInChI=1S/C11H10FN3O2/c1-6-4-7(12)2-3-8(6)15-5-9(16)10(14-15)11(13)17/h2-5,16H,1H3,(H2,13,17)
InChIKeyMSALIMOJXNMYDN-UHFFFAOYSA-N
XLogP1.12
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide (CID 71975489) is 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide is Cc1cc(F)ccc1-n1cc(O)c(C(N)=O)n1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
The InChIKey is MSALIMOJXNMYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-6-4-7(12)2-3-8(6)15-5-9(16)10(14-15)11(13)17/h2-5,16H,1H3,(H2,13,17).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide has a molecular weight of 235.22 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide is sourced from PubChem (CID 71975489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).