1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

C8H9F3N2O — CID 90167816

IUPAC1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESCn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C8H9F3N2O/c1-13-6-2-3-14-4-5(6)7(12-13)8(9,10)11/h2-4H2,1H3
InChIKeyCIJOFIOGPVUMFQ-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.51
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (PubChem CID 90167816) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
PubChem CID90167816
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESCn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C8H9F3N2O/c1-13-6-2-3-14-4-5(6)7(12-13)8(9,10)11/h2-4H2,1H3
InChIKeyCIJOFIOGPVUMFQ-UHFFFAOYSA-N
XLogP1.51
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.51
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
methyl (2-(3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl)ethyl)carbamate
CID 72718811
5-ethyl-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405713
(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
N-(2-(3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl)ethyl)propionamide
CID 72718810
1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 71204337
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
1,7-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
CID 90168163

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (CID 90167816) is 1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is Cn1nc(C(F)(F)F)c2c1CCOC2.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The InChIKey is CIJOFIOGPVUMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-13-6-2-3-14-4-5(6)7(12-13)8(9,10)11/h2-4H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole has a molecular weight of 206.17 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is sourced from PubChem (CID 90167816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).