(3S)-1-benzyl-N-(5-butyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C19H24N4O2 — CID 95048324

IUPAC(3S)-1-benzyl-N-(5-butyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n[nH]1
InChIInChI=1S/C19H24N4O2/c1-2-3-9-16-11-17(22-21-16)20-19(25)15-10-18(24)23(13-15)12-14-7-5-4-6-8-14/h4-8,11,15H,2-3,9-10,12-13H2,1H3,(H2,20,21,22,25)/t15-/m0/s1
InChIKeyUHEFXVHIMPMICX-HNNXBMFYSA-N
MW340.43 g/mol
LogP2.74
Rot. Bonds7

About (3S)-1-benzyl-N-(5-butyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-benzyl-N-(5-butyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 95048324) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (3S)-1-benzyl-N-(5-butyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-N-(5-butyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID95048324
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(3S)-1-benzyl-N-(5-butyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n[nH]1
InChIInChI=1S/C19H24N4O2/c1-2-3-9-16-11-17(22-21-16)20-19(25)15-10-18(24)23(13-15)12-14-7-5-4-6-8-14/h4-8,11,15H,2-3,9-10,12-13H2,1H3,(H2,20,21,22,25)/t15-/m0/s1
InChIKeyUHEFXVHIMPMICX-HNNXBMFYSA-N
XLogP2.74
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-(5-butyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-N-(5-butyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 95048324) is (3S)-1-benzyl-N-(5-butyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-N-(5-butyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-N-(5-butyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide is CCCCc1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n[nH]1.
What is the InChIKey of (3S)-1-benzyl-N-(5-butyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UHEFXVHIMPMICX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-3-9-16-11-17(22-21-16)20-19(25)15-10-18(24)23(13-15)12-14-7-5-4-6-8-14/h4-8,11,15H,2-3,9-10,12-13H2,1H3,(H2,20,21,22,25)/t15-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-(5-butyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-benzyl-N-(5-butyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-(5-butyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95048324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).