5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide

C17H17FN4O2S — CID 95230175

IUPAC5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESC[C@H](c1cncs1)N(C)C(=O)c1cc(COc2cccc(F)c2)[nH]n1
InChIInChI=1S/C17H17FN4O2S/c1-11(16-8-19-10-25-16)22(2)17(23)15-7-13(20-21-15)9-24-14-5-3-4-12(18)6-14/h3-8,10-11H,9H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyLSGXAJYXURNDQU-LLVKDONJSA-N
MW360.41 g/mol
LogP3.42
Rot. Bonds6

About 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide

5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 95230175) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID95230175
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESC[C@H](c1cncs1)N(C)C(=O)c1cc(COc2cccc(F)c2)[nH]n1
InChIInChI=1S/C17H17FN4O2S/c1-11(16-8-19-10-25-16)22(2)17(23)15-7-13(20-21-15)9-24-14-5-3-4-12(18)6-14/h3-8,10-11H,9H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyLSGXAJYXURNDQU-LLVKDONJSA-N
XLogP3.42
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 95230175) is 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide is C[C@H](c1cncs1)N(C)C(=O)c1cc(COc2cccc(F)c2)[nH]n1.
What is the InChIKey of 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is LSGXAJYXURNDQU-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-11(16-8-19-10-25-16)22(2)17(23)15-7-13(20-21-15)9-24-14-5-3-4-12(18)6-14/h3-8,10-11H,9H2,1-2H3,(H,20,21)/t11-/m1/s1.
What are the key properties of 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95230175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).