5-ethyl-N-(1-phenylethyl)-1-propyl-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-3-carboxamide

C20H30N4O — CID 52947197

IUPAC5-ethyl-N-(1-phenylethyl)-1-propyl-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCCN1N=C(C(=O)NC(C)c2ccccc2)C2CN(CC)CCC21
InChIInChI=1S/C20H30N4O/c1-4-12-24-18-11-13-23(5-2)14-17(18)19(22-24)20(25)21-15(3)16-9-7-6-8-10-16/h6-10,15,17-18H,4-5,11-14H2,1-3H3,(H,21,25)
InChIKeySHJMHMGIQVVEAB-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.66
Rot. Bonds6

About 5-ethyl-N-(1-phenylethyl)-1-propyl-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-3-carboxamide

5-ethyl-N-(1-phenylethyl)-1-propyl-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 52947197) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 5-ethyl-N-(1-phenylethyl)-1-propyl-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(1-phenylethyl)-1-propyl-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID52947197
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name5-ethyl-N-(1-phenylethyl)-1-propyl-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCCN1N=C(C(=O)NC(C)c2ccccc2)C2CN(CC)CCC21
InChIInChI=1S/C20H30N4O/c1-4-12-24-18-11-13-23(5-2)14-17(18)19(22-24)20(25)21-15(3)16-9-7-6-8-10-16/h6-10,15,17-18H,4-5,11-14H2,1-3H3,(H,21,25)
InChIKeySHJMHMGIQVVEAB-UHFFFAOYSA-N
XLogP2.66
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(1-phenylethyl)-1-propyl-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-ethyl-N-(1-phenylethyl)-1-propyl-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 52947197) is 5-ethyl-N-(1-phenylethyl)-1-propyl-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(1-phenylethyl)-1-propyl-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(1-phenylethyl)-1-propyl-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-3-carboxamide is CCCN1N=C(C(=O)NC(C)c2ccccc2)C2CN(CC)CCC21.
What is the InChIKey of 5-ethyl-N-(1-phenylethyl)-1-propyl-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is SHJMHMGIQVVEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-4-12-24-18-11-13-23(5-2)14-17(18)19(22-24)20(25)21-15(3)16-9-7-6-8-10-16/h6-10,15,17-18H,4-5,11-14H2,1-3H3,(H,21,25).
What are the key properties of 5-ethyl-N-(1-phenylethyl)-1-propyl-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-ethyl-N-(1-phenylethyl)-1-propyl-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(1-phenylethyl)-1-propyl-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 52947197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).