1-methyl-3-(propan-2-yloxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C16H23N3OS — CID 97405717

IUPAC1-methyl-3-(propan-2-yloxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCC(C)OCc1nn(C)c2c1CN(Cc1cccs1)CC2
InChIInChI=1S/C16H23N3OS/c1-12(2)20-11-15-14-10-19(9-13-5-4-8-21-13)7-6-16(14)18(3)17-15/h4-5,8,12H,6-7,9-11H2,1-3H3
InChIKeyWKRPRHXSSOWCBQ-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.96
Rot. Bonds5

About 1-methyl-3-(propan-2-yloxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

1-methyl-3-(propan-2-yloxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 97405717) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 1-methyl-3-(propan-2-yloxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-methyl-3-(propan-2-yloxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID97405717
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name1-methyl-3-(propan-2-yloxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCC(C)OCc1nn(C)c2c1CN(Cc1cccs1)CC2
InChIInChI=1S/C16H23N3OS/c1-12(2)20-11-15-14-10-19(9-13-5-4-8-21-13)7-6-16(14)18(3)17-15/h4-5,8,12H,6-7,9-11H2,1-3H3
InChIKeyWKRPRHXSSOWCBQ-UHFFFAOYSA-N
XLogP2.96
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(propan-2-yloxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 1-methyl-3-(propan-2-yloxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 97405717) is 1-methyl-3-(propan-2-yloxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-methyl-3-(propan-2-yloxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-methyl-3-(propan-2-yloxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CC(C)OCc1nn(C)c2c1CN(Cc1cccs1)CC2.
What is the InChIKey of 1-methyl-3-(propan-2-yloxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is WKRPRHXSSOWCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-12(2)20-11-15-14-10-19(9-13-5-4-8-21-13)7-6-16(14)18(3)17-15/h4-5,8,12H,6-7,9-11H2,1-3H3.
What are the key properties of 1-methyl-3-(propan-2-yloxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
1-methyl-3-(propan-2-yloxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 305.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(propan-2-yloxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 97405717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).