N-(2-aminoethyl)-5-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C18H25N5O — CID 84614160

IUPACN-(2-aminoethyl)-5-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCCn1nc(C(=O)NCCN)c2c1CCN(c1ccccc1)C2
InChIInChI=1S/C18H25N5O/c1-2-11-23-16-8-12-22(14-6-4-3-5-7-14)13-15(16)17(21-23)18(24)20-10-9-19/h3-7H,2,8-13,19H2,1H3,(H,20,24)
InChIKeyMJVAJDRAABLYFS-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.54
Rot. Bonds6

About N-(2-aminoethyl)-5-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-(2-aminoethyl)-5-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 84614160) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID84614160
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-(2-aminoethyl)-5-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCCn1nc(C(=O)NCCN)c2c1CCN(c1ccccc1)C2
InChIInChI=1S/C18H25N5O/c1-2-11-23-16-8-12-22(14-6-4-3-5-7-14)13-15(16)17(21-23)18(24)20-10-9-19/h3-7H,2,8-13,19H2,1H3,(H,20,24)
InChIKeyMJVAJDRAABLYFS-UHFFFAOYSA-N
XLogP1.54
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 84614160) is N-(2-aminoethyl)-5-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCCn1nc(C(=O)NCCN)c2c1CCN(c1ccccc1)C2.
What is the InChIKey of N-(2-aminoethyl)-5-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is MJVAJDRAABLYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-2-11-23-16-8-12-22(14-6-4-3-5-7-14)13-15(16)17(21-23)18(24)20-10-9-19/h3-7H,2,8-13,19H2,1H3,(H,20,24).
What are the key properties of N-(2-aminoethyl)-5-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-(2-aminoethyl)-5-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 84614160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).