N-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide

C11H10FN3O2S — CID 75394550

IUPACN-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide
SMILESCS(=O)c1ccc(NC(=O)c2ccn[nH]2)cc1F
InChIInChI=1S/C11H10FN3O2S/c1-18(17)10-3-2-7(6-8(10)12)14-11(16)9-4-5-13-15-9/h2-6H,1H3,(H,13,15)(H,14,16)
InChIKeyDHYNFUXLFYUPIU-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.54
Rot. Bonds3

About N-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide

N-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 75394550) has the molecular formula C11H10FN3O2S and a molecular weight of 267.28 g/mol. Its IUPAC name is N-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID75394550
Molecular FormulaC11H10FN3O2S
Molecular Weight267.28 g/mol
Exact Mass267.05
IUPAC NameN-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide
SMILESCS(=O)c1ccc(NC(=O)c2ccn[nH]2)cc1F
InChIInChI=1S/C11H10FN3O2S/c1-18(17)10-3-2-7(6-8(10)12)14-11(16)9-4-5-13-15-9/h2-6H,1H3,(H,13,15)(H,14,16)
InChIKeyDHYNFUXLFYUPIU-UHFFFAOYSA-N
XLogP1.54
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide (CID 75394550) is N-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide is CS(=O)c1ccc(NC(=O)c2ccn[nH]2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is DHYNFUXLFYUPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c1-18(17)10-3-2-7(6-8(10)12)14-11(16)9-4-5-13-15-9/h2-6H,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide?
N-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 267.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 75394550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).