(3S,4S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid

C16H24N4O3 — CID 70738313

IUPAC(3S,4S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid
SMILESCCC[C@@H]1CN(C(=O)c2n[nH]c3c2CN(C)CC3)C[C@H]1C(=O)O
InChIInChI=1S/C16H24N4O3/c1-3-4-10-7-20(9-11(10)16(22)23)15(21)14-12-8-19(2)6-5-13(12)17-18-14/h10-11H,3-9H2,1-2H3,(H,17,18)(H,22,23)/t10-,11-/m1/s1
InChIKeyWCKGFVOYTHASLZ-GHMZBOCLSA-N
MW320.39 g/mol
LogP0.97
Rot. Bonds4

About (3S,4S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid

(3S,4S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid (PubChem CID 70738313) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3S,4S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid
PubChem CID70738313
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(3S,4S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid
SMILESCCC[C@@H]1CN(C(=O)c2n[nH]c3c2CN(C)CC3)C[C@H]1C(=O)O
InChIInChI=1S/C16H24N4O3/c1-3-4-10-7-20(9-11(10)16(22)23)15(21)14-12-8-19(2)6-5-13(12)17-18-14/h10-11H,3-9H2,1-2H3,(H,17,18)(H,22,23)/t10-,11-/m1/s1
InChIKeyWCKGFVOYTHASLZ-GHMZBOCLSA-N
XLogP0.97
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid (CID 70738313) is (3S,4S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid is CCC[C@@H]1CN(C(=O)c2n[nH]c3c2CN(C)CC3)C[C@H]1C(=O)O.
What is the InChIKey of (3S,4S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid?
The InChIKey is WCKGFVOYTHASLZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-3-4-10-7-20(9-11(10)16(22)23)15(21)14-12-8-19(2)6-5-13(12)17-18-14/h10-11H,3-9H2,1-2H3,(H,17,18)(H,22,23)/t10-,11-/m1/s1.
What are the key properties of (3S,4S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid?
(3S,4S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 70738313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).