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

C11H14F3N3O3 — CID 72718811

IUPACmethyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate
SMILESCOC(=O)NCCn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C11H14F3N3O3/c1-19-10(18)15-3-4-17-8-2-5-20-6-7(8)9(16-17)11(12,13)14/h2-6H2,1H3,(H,15,18)
InChIKeyHXKPKAZTBMOSIJ-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.33
Rot. Bonds3

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

methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate (PubChem CID 72718811) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate
PubChem CID72718811
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Namemethyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate
SMILESCOC(=O)NCCn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C11H14F3N3O3/c1-19-10(18)15-3-4-17-8-2-5-20-6-7(8)9(16-17)11(12,13)14/h2-6H2,1H3,(H,15,18)
InChIKeyHXKPKAZTBMOSIJ-UHFFFAOYSA-N
XLogP1.33
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate with MolForge

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Related Compounds

2-[3-(trifluoromethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-1-yl]acetic acid
CID 66875002
1-Cyclohexyl-3-((1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl)urea
CID 71808522
N-(2-(3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl)ethyl)cyclobutanecarboxamide
CID 72718813
(1-methyl-1H,4H,6H,7H-pyrano(4,3-c)pyrazol-3-yl)methanamine hydrochloride
CID 138991108
N-((1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl)cyclohex-3-enecarboxamide
CID 71808509
2-ethoxy-N-((1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl)acetamide
CID 72718825
N-(2-(3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl)ethyl)propionamide
CID 72718810
N-[(1S)-1-methylcyclohex-3-en-1-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide
CID 164635705
3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 90162053
1-Methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 90167816
1-Isopropyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 121214644
(1,3-Dimethyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-4-yl) 2,2,2-trifluoroacetate
CID 140272809

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate?
The IUPAC name of methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate (CID 72718811) is methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate is COC(=O)NCCn1nc(C(F)(F)F)c2c1CCOC2.
What is the InChIKey of methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate?
The InChIKey is HXKPKAZTBMOSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-19-10(18)15-3-4-17-8-2-5-20-6-7(8)9(16-17)11(12,13)14/h2-6H2,1H3,(H,15,18).
What are the key properties of methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate?
methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate has a molecular weight of 293.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate is sourced from PubChem (CID 72718811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).