N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]thiophene-3-carboxamide

C14H14F3N3O2S — CID 72718818

IUPACN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]thiophene-3-carboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)c1ccsc1
InChIInChI=1S/C14H14F3N3O2S/c15-14(16,17)12-10-7-22-5-1-11(10)20(19-12)4-3-18-13(21)9-2-6-23-8-9/h2,6,8H,1,3-5,7H2,(H,18,21)
InChIKeyQTLZCOBMWDHNQQ-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.47
Rot. Bonds4

About N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]thiophene-3-carboxamide

N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]thiophene-3-carboxamide (PubChem CID 72718818) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]thiophene-3-carboxamide
PubChem CID72718818
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC NameN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]thiophene-3-carboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)c1ccsc1
InChIInChI=1S/C14H14F3N3O2S/c15-14(16,17)12-10-7-22-5-1-11(10)20(19-12)4-3-18-13(21)9-2-6-23-8-9/h2,6,8H,1,3-5,7H2,(H,18,21)
InChIKeyQTLZCOBMWDHNQQ-UHFFFAOYSA-N
XLogP2.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]thiophene-3-carboxamide (CID 72718818) is N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]thiophene-3-carboxamide is O=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)c1ccsc1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]thiophene-3-carboxamide?
The InChIKey is QTLZCOBMWDHNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c15-14(16,17)12-10-7-22-5-1-11(10)20(19-12)4-3-18-13(21)9-2-6-23-8-9/h2,6,8H,1,3-5,7H2,(H,18,21).
What are the key properties of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]thiophene-3-carboxamide?
N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]thiophene-3-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 72718818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).