7,7,7-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ol

C13H21F3N2O — CID 105120607

IUPAC7,7,7-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ol
SMILESCc1nn(C)c(C)c1CCC(O)CCCC(F)(F)F
InChIInChI=1S/C13H21F3N2O/c1-9-12(10(2)18(3)17-9)7-6-11(19)5-4-8-13(14,15)16/h11,19H,4-8H2,1-3H3
InChIKeySFVQIWPLAMKFSJ-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.06
Rot. Bonds6

About 7,7,7-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ol

7,7,7-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ol (PubChem CID 105120607) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 7,7,7-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ol.

Molecular Properties

Compound Name7,7,7-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ol
PubChem CID105120607
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name7,7,7-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ol
SMILESCc1nn(C)c(C)c1CCC(O)CCCC(F)(F)F
InChIInChI=1S/C13H21F3N2O/c1-9-12(10(2)18(3)17-9)7-6-11(19)5-4-8-13(14,15)16/h11,19H,4-8H2,1-3H3
InChIKeySFVQIWPLAMKFSJ-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-Tetrahydro-5-hydroxy-1-methyl-3-trifluoromethyl-1H-indazole
CID 57368460
3-(1,1-Difluoroethyl)-4-ethyl-5-methyl-1-(oxan-2-yl)pyrazole
CID 71143397
1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-ol
CID 71204422
3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol
CID 90167674
1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-ol
CID 90167802
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol
CID 90167822
1-Ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol
CID 118357736
1-Propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol
CID 129129791
1-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-ol
CID 129129812
[3-(1,1-Difluoroethyl)-1,5-dimethylpyrazol-4-yl]methanol;ethane
CID 145222067
1-[1,4-Dimethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol
CID 146874436
(5R,12S)-15,15-difluoro-4,5,13-trimethyl-4,8,9-triazatricyclo[7.6.0.02,7]pentadeca-1,7-dien-12-ol
CID 155360670

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ol?
The IUPAC name of 7,7,7-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ol (CID 105120607) is 7,7,7-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ol.
What is the SMILES notation for 7,7,7-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ol?
The canonical SMILES for 7,7,7-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ol is Cc1nn(C)c(C)c1CCC(O)CCCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ol?
The InChIKey is SFVQIWPLAMKFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-9-12(10(2)18(3)17-9)7-6-11(19)5-4-8-13(14,15)16/h11,19H,4-8H2,1-3H3.
What are the key properties of 7,7,7-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ol?
7,7,7-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ol has a molecular weight of 278.32 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ol is sourced from PubChem (CID 105120607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).