5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(E)-2-phenylethenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C19H22N6 — CID 29149412

IUPAC5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(E)-2-phenylethenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCn1ncnc1CN1CCc2[nH]nc(/C=C/c3ccccc3)c2C1
InChIInChI=1S/C19H22N6/c1-2-25-19(20-14-21-25)13-24-11-10-18-16(12-24)17(22-23-18)9-8-15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H,22,23)/b9-8+
InChIKeyRRHOYYZVJRLDDG-CMDGGOBGSA-N
MW334.43 g/mol
LogP2.75
Rot. Bonds5

About 5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(E)-2-phenylethenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(E)-2-phenylethenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 29149412) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(E)-2-phenylethenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(E)-2-phenylethenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID29149412
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(E)-2-phenylethenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCn1ncnc1CN1CCc2[nH]nc(/C=C/c3ccccc3)c2C1
InChIInChI=1S/C19H22N6/c1-2-25-19(20-14-21-25)13-24-11-10-18-16(12-24)17(22-23-18)9-8-15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H,22,23)/b9-8+
InChIKeyRRHOYYZVJRLDDG-CMDGGOBGSA-N
XLogP2.75
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorophenyl)methyl]-5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 31191742
8-chloro-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 77081383
(4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylazepane
CID 99838451
2-benzyl-7-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine
CID 162627010
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 99954441
2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine
CID 83851652
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol
CID 114502580
5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 46318260
(3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 154897799
(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methylphenyl)piperidine
CID 99939381
5-benzyl-3-(2,3-dichlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110535258
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336059

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(E)-2-phenylethenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(E)-2-phenylethenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 29149412) is 5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(E)-2-phenylethenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(E)-2-phenylethenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(E)-2-phenylethenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCn1ncnc1CN1CCc2[nH]nc(/C=C/c3ccccc3)c2C1.
What is the InChIKey of 5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(E)-2-phenylethenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is RRHOYYZVJRLDDG-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H22N6/c1-2-25-19(20-14-21-25)13-24-11-10-18-16(12-24)17(22-23-18)9-8-15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H,22,23)/b9-8+.
What are the key properties of 5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(E)-2-phenylethenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(E)-2-phenylethenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 334.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(E)-2-phenylethenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 29149412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).