(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide

C13H22N4O2 — CID 97158372

IUPAC(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C
InChIInChI=1S/C13H22N4O2/c1-9-12(10(2)16-15-9)11-5-4-7-17(11)13(18)14-6-8-19-3/h11H,4-8H2,1-3H3,(H,14,18)(H,15,16)/t11-/m0/s1
InChIKeyCUHINYLZVMBYGG-NSHDSACASA-N
MW266.34 g/mol
LogP1.52
Rot. Bonds4

About (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide

(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide (PubChem CID 97158372) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
PubChem CID97158372
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C
InChIInChI=1S/C13H22N4O2/c1-9-12(10(2)16-15-9)11-5-4-7-17(11)13(18)14-6-8-19-3/h11H,4-8H2,1-3H3,(H,14,18)(H,15,16)/t11-/m0/s1
InChIKeyCUHINYLZVMBYGG-NSHDSACASA-N
XLogP1.52
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide (CID 97158372) is (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide is COCCNC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C.
What is the InChIKey of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide?
The InChIKey is CUHINYLZVMBYGG-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9-12(10(2)16-15-9)11-5-4-7-17(11)13(18)14-6-8-19-3/h11H,4-8H2,1-3H3,(H,14,18)(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide?
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97158372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).