[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]-morpholin-4-ylmethanone

C14H16F3N3O2S — CID 162559922

IUPAC[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]-morpholin-4-ylmethanone
SMILESCn1nc(C2CC=C(C(=O)N3CCOCC3)S2)cc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O2S/c1-19-12(14(15,16)17)8-9(18-19)10-2-3-11(23-10)13(21)20-4-6-22-7-5-20/h3,8,10H,2,4-7H2,1H3
InChIKeyHJULLSUTMRUOCD-UHFFFAOYSA-N
MW347.36 g/mol
LogP2.36
Rot. Bonds2

About [2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]-morpholin-4-ylmethanone

[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]-morpholin-4-ylmethanone (PubChem CID 162559922) has the molecular formula C14H16F3N3O2S and a molecular weight of 347.36 g/mol. Its IUPAC name is [2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]-morpholin-4-ylmethanone
PubChem CID162559922
Molecular FormulaC14H16F3N3O2S
Molecular Weight347.36 g/mol
Exact Mass347.09
IUPAC Name[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]-morpholin-4-ylmethanone
SMILESCn1nc(C2CC=C(C(=O)N3CCOCC3)S2)cc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O2S/c1-19-12(14(15,16)17)8-9(18-19)10-2-3-11(23-10)13(21)20-4-6-22-7-5-20/h3,8,10H,2,4-7H2,1H3
InChIKeyHJULLSUTMRUOCD-UHFFFAOYSA-N
XLogP2.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]-morpholin-4-ylmethanone (CID 162559922) is [2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]-morpholin-4-ylmethanone is Cn1nc(C2CC=C(C(=O)N3CCOCC3)S2)cc1C(F)(F)F.
What is the InChIKey of [2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]-morpholin-4-ylmethanone?
The InChIKey is HJULLSUTMRUOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S/c1-19-12(14(15,16)17)8-9(18-19)10-2-3-11(23-10)13(21)20-4-6-22-7-5-20/h3,8,10H,2,4-7H2,1H3.
What are the key properties of [2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]-morpholin-4-ylmethanone?
[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]-morpholin-4-ylmethanone has a molecular weight of 347.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 162559922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).