1-ethyl-7-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole

C10H13F3N2O — CID 118357774

IUPAC1-ethyl-7-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
SMILESCCn1nc(C(F)(F)F)c2c1C(C)OCC2
InChIInChI=1S/C10H13F3N2O/c1-3-15-8-6(2)16-5-4-7(8)9(14-15)10(11,12)13/h6H,3-5H2,1-2H3
InChIKeyYEKPFECBBLNGIL-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.56
Rot. Bonds1

About 1-ethyl-7-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole

1-ethyl-7-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole (PubChem CID 118357774) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-ethyl-7-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole.

Molecular Properties

Compound Name1-ethyl-7-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
PubChem CID118357774
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-ethyl-7-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
SMILESCCn1nc(C(F)(F)F)c2c1C(C)OCC2
InChIInChI=1S/C10H13F3N2O/c1-3-15-8-6(2)16-5-4-7(8)9(14-15)10(11,12)13/h6H,3-5H2,1-2H3
InChIKeyYEKPFECBBLNGIL-UHFFFAOYSA-N
XLogP2.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(trifluoromethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-1-yl]acetic acid
CID 66875002
5-ethyl-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405713
2-[3-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanol
CID 97519885
(1-methyl-1H,4H,6H,7H-pyrano(4,3-c)pyrazol-3-yl)methanamine hydrochloride
CID 138991108
{1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}methanol
CID 154814434
1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 71204337
2-(3-(trifluoromethyl)-4,5-dihydropyrano[3,4-c]pyrazol-1(7H)-yl)acetic acid
CID 86719768
3-(1-ethoxyethenyl)-6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indazole
CID 89062194
1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 90162028
7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 90162029
3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 90162053
3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
CID 90162054

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The IUPAC name of 1-ethyl-7-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole (CID 118357774) is 1-ethyl-7-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole.
What is the SMILES notation for 1-ethyl-7-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The canonical SMILES for 1-ethyl-7-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole is CCn1nc(C(F)(F)F)c2c1C(C)OCC2.
What is the InChIKey of 1-ethyl-7-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The InChIKey is YEKPFECBBLNGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-3-15-8-6(2)16-5-4-7(8)9(14-15)10(11,12)13/h6H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-7-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
1-ethyl-7-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole has a molecular weight of 234.22 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole is sourced from PubChem (CID 118357774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).