5-[(3-fluorophenoxy)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide

C17H16FN3O2S — CID 42289433

IUPAC5-[(3-fluorophenoxy)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1cc(COc2cccc(F)c2)[nH]n1
InChIInChI=1S/C17H16FN3O2S/c1-21(10-15-6-3-7-24-15)17(22)16-9-13(19-20-16)11-23-14-5-2-4-12(18)8-14/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyJAXGYCNIANBGNF-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.46
Rot. Bonds6

About 5-[(3-fluorophenoxy)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide

5-[(3-fluorophenoxy)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 42289433) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-[(3-fluorophenoxy)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenoxy)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID42289433
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name5-[(3-fluorophenoxy)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1cc(COc2cccc(F)c2)[nH]n1
InChIInChI=1S/C17H16FN3O2S/c1-21(10-15-6-3-7-24-15)17(22)16-9-13(19-20-16)11-23-14-5-2-4-12(18)8-14/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyJAXGYCNIANBGNF-UHFFFAOYSA-N
XLogP3.46
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide (CID 42289433) is 5-[(3-fluorophenoxy)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenoxy)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3-fluorophenoxy)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide is CN(Cc1cccs1)C(=O)c1cc(COc2cccc(F)c2)[nH]n1.
What is the InChIKey of 5-[(3-fluorophenoxy)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is JAXGYCNIANBGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-21(10-15-6-3-7-24-15)17(22)16-9-13(19-20-16)11-23-14-5-2-4-12(18)8-14/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of 5-[(3-fluorophenoxy)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide?
5-[(3-fluorophenoxy)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenoxy)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42289433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).