7-methyl-5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C11H14F3N7 — CID 136563240

IUPAC7-methyl-5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCC1CN(Cc2nnnn2CC(F)(F)F)Cc2cn[nH]c21
InChIInChI=1S/C11H14F3N7/c1-7-3-20(4-8-2-15-17-10(7)8)5-9-16-18-19-21(9)6-11(12,13)14/h2,7H,3-6H2,1H3,(H,15,17)
InChIKeyDZZZJPOXNWKRLP-UHFFFAOYSA-N
MW301.28 g/mol
LogP1.08
Rot. Bonds3

About 7-methyl-5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

7-methyl-5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 136563240) has the molecular formula C11H14F3N7 and a molecular weight of 301.28 g/mol. Its IUPAC name is 7-methyl-5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name7-methyl-5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID136563240
Molecular FormulaC11H14F3N7
Molecular Weight301.28 g/mol
Exact Mass301.13
IUPAC Name7-methyl-5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCC1CN(Cc2nnnn2CC(F)(F)F)Cc2cn[nH]c21
InChIInChI=1S/C11H14F3N7/c1-7-3-20(4-8-2-15-17-10(7)8)5-9-16-18-19-21(9)6-11(12,13)14/h2,7H,3-6H2,1H3,(H,15,17)
InChIKeyDZZZJPOXNWKRLP-UHFFFAOYSA-N
XLogP1.08
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 51104451
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CID 53571557
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CID 53587946
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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 7-methyl-5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 136563240) is 7-methyl-5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 7-methyl-5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 7-methyl-5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is CC1CN(Cc2nnnn2CC(F)(F)F)Cc2cn[nH]c21.
What is the InChIKey of 7-methyl-5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is DZZZJPOXNWKRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N7/c1-7-3-20(4-8-2-15-17-10(7)8)5-9-16-18-19-21(9)6-11(12,13)14/h2,7H,3-6H2,1H3,(H,15,17).
What are the key properties of 7-methyl-5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
7-methyl-5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 301.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 136563240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).