5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide

C12H12FN3O — CID 18923863

IUPAC5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)Nc1ccccc1
InChIInChI=1S/C12H12FN3O/c1-8-10(11(13)16(2)15-8)12(17)14-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,14,17)
InChIKeyWFCWFFOPNAZKNI-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.12
Rot. Bonds2

About 5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide

5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide (PubChem CID 18923863) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide
PubChem CID18923863
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)Nc1ccccc1
InChIInChI=1S/C12H12FN3O/c1-8-10(11(13)16(2)15-8)12(17)14-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,14,17)
InChIKeyWFCWFFOPNAZKNI-UHFFFAOYSA-N
XLogP2.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide (CID 18923863) is 5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide is Cc1nn(C)c(F)c1C(=O)Nc1ccccc1.
What is the InChIKey of 5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide?
The InChIKey is WFCWFFOPNAZKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-8-10(11(13)16(2)15-8)12(17)14-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,14,17).
What are the key properties of 5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide?
5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide has a molecular weight of 233.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 18923863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).