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

C16H15FN4O2S — CID 42596082

IUPAC5-[(3-fluorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(CNC(=O)c2cc(COc3cccc(F)c3)[nH]n2)cs1
InChIInChI=1S/C16H15FN4O2S/c1-10-19-13(9-24-10)7-18-16(22)15-6-12(20-21-15)8-23-14-4-2-3-11(17)5-14/h2-6,9H,7-8H2,1H3,(H,18,22)(H,20,21)
InChIKeyOMSYUNRUDBDBCR-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.82
Rot. Bonds6

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

5-[(3-fluorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 42596082) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-[(3-fluorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID42596082
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name5-[(3-fluorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(CNC(=O)c2cc(COc3cccc(F)c3)[nH]n2)cs1
InChIInChI=1S/C16H15FN4O2S/c1-10-19-13(9-24-10)7-18-16(22)15-6-12(20-21-15)8-23-14-4-2-3-11(17)5-14/h2-6,9H,7-8H2,1H3,(H,18,22)(H,20,21)
InChIKeyOMSYUNRUDBDBCR-UHFFFAOYSA-N
XLogP2.82
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide (CID 42596082) is 5-[(3-fluorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3-fluorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide is Cc1nc(CNC(=O)c2cc(COc3cccc(F)c3)[nH]n2)cs1.
What is the InChIKey of 5-[(3-fluorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is OMSYUNRUDBDBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-10-19-13(9-24-10)7-18-16(22)15-6-12(20-21-15)8-23-14-4-2-3-11(17)5-14/h2-6,9H,7-8H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 5-[(3-fluorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
5-[(3-fluorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42596082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).