3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

C11H10FN3O — CID 69409794

IUPAC3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(N)=O
InChIInChI=1S/C11H10FN3O/c1-15-10(11(13)16)6-9(14-15)7-2-4-8(12)5-3-7/h2-6H,1H3,(H2,13,16)
InChIKeyNGDGZWASNIUSCJ-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.33
Rot. Bonds2

About 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 69409794) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID69409794
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(N)=O
InChIInChI=1S/C11H10FN3O/c1-15-10(11(13)16)6-9(14-15)7-2-4-8(12)5-3-7/h2-6H,1H3,(H2,13,16)
InChIKeyNGDGZWASNIUSCJ-UHFFFAOYSA-N
XLogP1.33
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (CID 69409794) is 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(N)=O.
What is the InChIKey of 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is NGDGZWASNIUSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-15-10(11(13)16)6-9(14-15)7-2-4-8(12)5-3-7/h2-6H,1H3,(H2,13,16).
What are the key properties of 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 219.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 69409794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).