(2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide

C13H21N5O2 — CID 95628337

IUPAC(2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C13H21N5O2/c1-3-17(4-2)12(19)11-6-5-7-18(11)13(20)16-10-8-14-15-9-10/h8-9,11H,3-7H2,1-2H3,(H,14,15)(H,16,20)/t11-/m0/s1
InChIKeyBVGGKPUTUAVSSW-NSHDSACASA-N
MW279.34 g/mol
LogP1.27
Rot. Bonds4

About (2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide

(2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide (PubChem CID 95628337) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide
PubChem CID95628337
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name(2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C13H21N5O2/c1-3-17(4-2)12(19)11-6-5-7-18(11)13(20)16-10-8-14-15-9-10/h8-9,11H,3-7H2,1-2H3,(H,14,15)(H,16,20)/t11-/m0/s1
InChIKeyBVGGKPUTUAVSSW-NSHDSACASA-N
XLogP1.27
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide (CID 95628337) is (2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide is CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1cn[nH]c1.
What is the InChIKey of (2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is BVGGKPUTUAVSSW-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-17(4-2)12(19)11-6-5-7-18(11)13(20)16-10-8-14-15-9-10/h8-9,11H,3-7H2,1-2H3,(H,14,15)(H,16,20)/t11-/m0/s1.
What are the key properties of (2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide?
(2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 95628337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).