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

C16H15FN4O2S — CID 42529406

IUPAC5-[(3-fluorophenoxy)methyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCCc1cscn1)c1cc(COc2cccc(F)c2)[nH]n1
InChIInChI=1S/C16H15FN4O2S/c17-11-2-1-3-14(6-11)23-8-13-7-15(21-20-13)16(22)18-5-4-12-9-24-10-19-12/h1-3,6-7,9-10H,4-5,8H2,(H,18,22)(H,20,21)
InChIKeyIKPLVVRQJWGHHZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.56
Rot. Bonds7

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

5-[(3-fluorophenoxy)methyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 42529406) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-[(3-fluorophenoxy)methyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenoxy)methyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID42529406
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name5-[(3-fluorophenoxy)methyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCCc1cscn1)c1cc(COc2cccc(F)c2)[nH]n1
InChIInChI=1S/C16H15FN4O2S/c17-11-2-1-3-14(6-11)23-8-13-7-15(21-20-13)16(22)18-5-4-12-9-24-10-19-12/h1-3,6-7,9-10H,4-5,8H2,(H,18,22)(H,20,21)
InChIKeyIKPLVVRQJWGHHZ-UHFFFAOYSA-N
XLogP2.56
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.56
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-(1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 42529406) is 5-[(3-fluorophenoxy)methyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenoxy)methyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3-fluorophenoxy)methyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide is O=C(NCCc1cscn1)c1cc(COc2cccc(F)c2)[nH]n1.
What is the InChIKey of 5-[(3-fluorophenoxy)methyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is IKPLVVRQJWGHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c17-11-2-1-3-14(6-11)23-8-13-7-15(21-20-13)16(22)18-5-4-12-9-24-10-19-12/h1-3,6-7,9-10H,4-5,8H2,(H,18,22)(H,20,21).
What are the key properties of 5-[(3-fluorophenoxy)methyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-[(3-fluorophenoxy)methyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.56, 7 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-(1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42529406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).