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

C18H21ClN6 — CID 31191742

IUPAC3-[(4-chlorophenyl)methyl]-5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCn1ncnc1CN1CCc2[nH]nc(Cc3ccc(Cl)cc3)c2C1
InChIInChI=1S/C18H21ClN6/c1-2-25-18(20-12-21-25)11-24-8-7-16-15(10-24)17(23-22-16)9-13-3-5-14(19)6-4-13/h3-6,12H,2,7-11H2,1H3,(H,22,23)
InChIKeyLVNNMAJAMBADKN-UHFFFAOYSA-N
MW356.86 g/mol
LogP2.82
Rot. Bonds5

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

3-[(4-chlorophenyl)methyl]-5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 31191742) has the molecular formula C18H21ClN6 and a molecular weight of 356.86 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID31191742
Molecular FormulaC18H21ClN6
Molecular Weight356.86 g/mol
Exact Mass356.15
IUPAC Name3-[(4-chlorophenyl)methyl]-5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCn1ncnc1CN1CCc2[nH]nc(Cc3ccc(Cl)cc3)c2C1
InChIInChI=1S/C18H21ClN6/c1-2-25-18(20-12-21-25)11-24-8-7-16-15(10-24)17(23-22-16)9-13-3-5-14(19)6-4-13/h3-6,12H,2,7-11H2,1H3,(H,22,23)
InChIKeyLVNNMAJAMBADKN-UHFFFAOYSA-N
XLogP2.82
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 29149412
3-[(4-methoxyphenyl)methyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
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3-ethyl-5-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118493373
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4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
CID 128905079
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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 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) is 3-[(4-chlorophenyl)methyl]-5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCn1ncnc1CN1CCc2[nH]nc(Cc3ccc(Cl)cc3)c2C1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is LVNNMAJAMBADKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6/c1-2-25-18(20-12-21-25)11-24-8-7-16-15(10-24)17(23-22-16)9-13-3-5-14(19)6-4-13/h3-6,12H,2,7-11H2,1H3,(H,22,23).
What are the key properties of 3-[(4-chlorophenyl)methyl]-5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-[(4-chlorophenyl)methyl]-5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 356.86 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 31191742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).