5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide

C17H17FN4O2S — CID 42529039

IUPAC5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1csc(CN(C)C(=O)c2cc(COc3cccc(F)c3)[nH]n2)n1
InChIInChI=1S/C17H17FN4O2S/c1-11-10-25-16(19-11)8-22(2)17(23)15-7-13(20-21-15)9-24-14-5-3-4-12(18)6-14/h3-7,10H,8-9H2,1-2H3,(H,20,21)
InChIKeyOBVAWUVDETTZFP-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.16
Rot. Bonds6

About 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide

5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 42529039) 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-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID42529039
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1csc(CN(C)C(=O)c2cc(COc3cccc(F)c3)[nH]n2)n1
InChIInChI=1S/C17H17FN4O2S/c1-11-10-25-16(19-11)8-22(2)17(23)15-7-13(20-21-15)9-24-14-5-3-4-12(18)6-14/h3-7,10H,8-9H2,1-2H3,(H,20,21)
InChIKeyOBVAWUVDETTZFP-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
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-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide (CID 42529039) is 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide is Cc1csc(CN(C)C(=O)c2cc(COc3cccc(F)c3)[nH]n2)n1.
What is the InChIKey of 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is OBVAWUVDETTZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-11-10-25-16(19-11)8-22(2)17(23)15-7-13(20-21-15)9-24-14-5-3-4-12(18)6-14/h3-7,10H,8-9H2,1-2H3,(H,20,21).
What are the key properties of 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 3.16, 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-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42529039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).