5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C17H22N4 — CID 172908815

IUPAC5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESc1ccc(CN2CCc3[nH]nc(C4CCNC4)c3C2)cc1
InChIInChI=1S/C17H22N4/c1-2-4-13(5-3-1)11-21-9-7-16-15(12-21)17(20-19-16)14-6-8-18-10-14/h1-5,14,18H,6-12H2,(H,19,20)
InChIKeyKKTQRMSKACDEAL-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.04
Rot. Bonds3

About 5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 172908815) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID172908815
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESc1ccc(CN2CCc3[nH]nc(C4CCNC4)c3C2)cc1
InChIInChI=1S/C17H22N4/c1-2-4-13(5-3-1)11-21-9-7-16-15(12-21)17(20-19-16)14-6-8-18-10-14/h1-5,14,18H,6-12H2,(H,19,20)
InChIKeyKKTQRMSKACDEAL-UHFFFAOYSA-N
XLogP2.04
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
CID 163337219
3-cyclobutyl-5-[[4-(furan-2-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 31126051
2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine
CID 83851652
1-[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 155882574
3-cyclopropyl-5-[(6-methyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 74235381
3-cyclopropyl-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 74233839
5-benzyl-3-(2,3-dichlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110535258
2-benzyl-7-piperidin-3-yl-3,4-dihydro-1H-isoquinolin-5-ol;dihydrochloride
CID 167995659
N-benzyl-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
CID 56897168
1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride
CID 56831723
1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
CID 141321764
5-benzyl-3-(3-propan-2-yloxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536008

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 172908815) is 5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is c1ccc(CN2CCc3[nH]nc(C4CCNC4)c3C2)cc1.
What is the InChIKey of 5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is KKTQRMSKACDEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-4-13(5-3-1)11-21-9-7-16-15(12-21)17(20-19-16)14-6-8-18-10-14/h1-5,14,18H,6-12H2,(H,19,20).
What are the key properties of 5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 282.39 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 172908815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).