2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

C12H14F3N5 — CID 156863515

IUPAC2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCn1nc(C(F)(F)F)cc1-c1c2c(nn1C)CNCC2
InChIInChI=1S/C12H14F3N5/c1-19-9(5-10(18-19)12(13,14)15)11-7-3-4-16-6-8(7)17-20(11)2/h5,16H,3-4,6H2,1-2H3
InChIKeyDQWWDYCQLSEMSY-UHFFFAOYSA-N
MW285.27 g/mol
LogP1.49
Rot. Bonds1

About 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 156863515) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID156863515
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCn1nc(C(F)(F)F)cc1-c1c2c(nn1C)CNCC2
InChIInChI=1S/C12H14F3N5/c1-19-9(5-10(18-19)12(13,14)15)11-7-3-4-16-6-8(7)17-20(11)2/h5,16H,3-4,6H2,1-2H3
InChIKeyDQWWDYCQLSEMSY-UHFFFAOYSA-N
XLogP1.49
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (CID 156863515) is 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is Cn1nc(C(F)(F)F)cc1-c1c2c(nn1C)CNCC2.
What is the InChIKey of 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is DQWWDYCQLSEMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-19-9(5-10(18-19)12(13,14)15)11-7-3-4-16-6-8(7)17-20(11)2/h5,16H,3-4,6H2,1-2H3.
What are the key properties of 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 285.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 156863515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).