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

C13H16F3N3O2 — CID 72718812

IUPACN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)C1CC1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)11-9-7-21-6-3-10(9)19(18-11)5-4-17-12(20)8-1-2-8/h8H,1-7H2,(H,17,20)
InChIKeyNJNVGOHIJKLKRL-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.50
Rot. Bonds4

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

N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclopropanecarboxamide (PubChem CID 72718812) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclopropanecarboxamide
PubChem CID72718812
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC NameN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)C1CC1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)11-9-7-21-6-3-10(9)19(18-11)5-4-17-12(20)8-1-2-8/h8H,1-7H2,(H,17,20)
InChIKeyNJNVGOHIJKLKRL-UHFFFAOYSA-N
XLogP1.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.50
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]cyclopropanecarboxamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclopropanecarboxamide (CID 72718812) is N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclopropanecarboxamide is O=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)C1CC1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is NJNVGOHIJKLKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)11-9-7-21-6-3-10(9)19(18-11)5-4-17-12(20)8-1-2-8/h8H,1-7H2,(H,17,20).
What are the key properties of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclopropanecarboxamide?
N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 303.28 g/mol, XLogP of 1.50, 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]cyclopropanecarboxamide is sourced from PubChem (CID 72718812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).