1-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

C16H23F3N4OS — CID 87020426

IUPAC1-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2(N3CCSCC3)CCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C16H23F3N4OS/c1-22-10-12(13(21-22)16(17,18)19)14(24)20-11-15(4-2-3-5-15)23-6-8-25-9-7-23/h10H,2-9,11H2,1H3,(H,20,24)
InChIKeyDQBYLDMREVCHLT-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.53
Rot. Bonds4

About 1-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 87020426) has the molecular formula C16H23F3N4OS and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID87020426
Molecular FormulaC16H23F3N4OS
Molecular Weight376.45 g/mol
Exact Mass376.15
IUPAC Name1-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2(N3CCSCC3)CCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C16H23F3N4OS/c1-22-10-12(13(21-22)16(17,18)19)14(24)20-11-15(4-2-3-5-15)23-6-8-25-9-7-23/h10H,2-9,11H2,1H3,(H,20,24)
InChIKeyDQBYLDMREVCHLT-UHFFFAOYSA-N
XLogP2.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 87020426) is 1-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)NCC2(N3CCSCC3)CCCC2)c(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is DQBYLDMREVCHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4OS/c1-22-10-12(13(21-22)16(17,18)19)14(24)20-11-15(4-2-3-5-15)23-6-8-25-9-7-23/h10H,2-9,11H2,1H3,(H,20,24).
What are the key properties of 1-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 87020426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).