N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide

C14H15F3N4OS — CID 136563776

IUPACN-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESO=C(CN1CCn2nc(C(F)(F)F)cc2C1)NCc1cccs1
InChIInChI=1S/C14H15F3N4OS/c15-14(16,17)12-6-10-8-20(3-4-21(10)19-12)9-13(22)18-7-11-2-1-5-23-11/h1-2,5-6H,3-4,7-9H2,(H,18,22)
InChIKeySBEQERCAVCMMID-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.10
Rot. Bonds4

About N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide

N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide (PubChem CID 136563776) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide
PubChem CID136563776
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC NameN-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESO=C(CN1CCn2nc(C(F)(F)F)cc2C1)NCc1cccs1
InChIInChI=1S/C14H15F3N4OS/c15-14(16,17)12-6-10-8-20(3-4-21(10)19-12)9-13(22)18-7-11-2-1-5-23-11/h1-2,5-6H,3-4,7-9H2,(H,18,22)
InChIKeySBEQERCAVCMMID-UHFFFAOYSA-N
XLogP2.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide (CID 136563776) is N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide is O=C(CN1CCn2nc(C(F)(F)F)cc2C1)NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The InChIKey is SBEQERCAVCMMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c15-14(16,17)12-6-10-8-20(3-4-21(10)19-12)9-13(22)18-7-11-2-1-5-23-11/h1-2,5-6H,3-4,7-9H2,(H,18,22).
What are the key properties of N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide?
N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide has a molecular weight of 344.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide is sourced from PubChem (CID 136563776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).