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

C14H18F3N3O2 — CID 72718813

IUPACN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)C1CCC1
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)12-10-8-22-7-4-11(10)20(19-12)6-5-18-13(21)9-2-1-3-9/h9H,1-8H2,(H,18,21)
InChIKeyHWFHIGDSUHSDLQ-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.89
Rot. Bonds4

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

N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclobutanecarboxamide (PubChem CID 72718813) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclobutanecarboxamide
PubChem CID72718813
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC NameN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)C1CCC1
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)12-10-8-22-7-4-11(10)20(19-12)6-5-18-13(21)9-2-1-3-9/h9H,1-8H2,(H,18,21)
InChIKeyHWFHIGDSUHSDLQ-UHFFFAOYSA-N
XLogP1.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]cyclobutanecarboxamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclobutanecarboxamide (CID 72718813) is N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclobutanecarboxamide is O=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)C1CCC1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is HWFHIGDSUHSDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c15-14(16,17)12-10-8-22-7-4-11(10)20(19-12)6-5-18-13(21)9-2-1-3-9/h9H,1-8H2,(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]cyclobutanecarboxamide?
N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 317.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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]cyclobutanecarboxamide is sourced from PubChem (CID 72718813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).