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

C11H10FN3O — CID 831887

IUPACN-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C11H10FN3O/c1-15-7-8(6-13-15)11(16)14-10-4-2-3-9(12)5-10/h2-7H,1H3,(H,14,16)
InChIKeyUSLIINDCLMTNNK-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.81
Rot. Bonds2

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

N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 831887) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide
PubChem CID831887
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC NameN-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C11H10FN3O/c1-15-7-8(6-13-15)11(16)14-10-4-2-3-9(12)5-10/h2-7H,1H3,(H,14,16)
InChIKeyUSLIINDCLMTNNK-UHFFFAOYSA-N
XLogP1.81
TPSA46.92 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide (CID 831887) is N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2cccc(F)c2)cn1.
What is the InChIKey of N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is USLIINDCLMTNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-15-7-8(6-13-15)11(16)14-10-4-2-3-9(12)5-10/h2-7H,1H3,(H,14,16).
What are the key properties of N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide?
N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 219.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 831887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).