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

C13H16F3N5 — CID 156863535

IUPAC3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCc1c(-c2c3c(nn2C)CNCC3)c(C(F)(F)F)nn1C
InChIInChI=1S/C13H16F3N5/c1-7-10(12(13(14,15)16)19-20(7)2)11-8-4-5-17-6-9(8)18-21(11)3/h17H,4-6H2,1-3H3
InChIKeyCFHWPDJBFJDQQV-UHFFFAOYSA-N
MW299.30 g/mol
LogP1.79
Rot. Bonds1

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

3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 156863535) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is 3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID156863535
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC Name3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCc1c(-c2c3c(nn2C)CNCC3)c(C(F)(F)F)nn1C
InChIInChI=1S/C13H16F3N5/c1-7-10(12(13(14,15)16)19-20(7)2)11-8-4-5-17-6-9(8)18-21(11)3/h17H,4-6H2,1-3H3
InChIKeyCFHWPDJBFJDQQV-UHFFFAOYSA-N
XLogP1.79
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (CID 156863535) is 3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is Cc1c(-c2c3c(nn2C)CNCC3)c(C(F)(F)F)nn1C.
What is the InChIKey of 3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is CFHWPDJBFJDQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-7-10(12(13(14,15)16)19-20(7)2)11-8-4-5-17-6-9(8)18-21(11)3/h17H,4-6H2,1-3H3.
What are the key properties of 3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 299.30 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 156863535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).