(2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide

C16H24N6O2 — CID 56758917

IUPAC(2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cnn2ccn(C)c12
InChIInChI=1S/C16H24N6O2/c1-4-20(5-2)16(24)13-8-11(17)10-21(13)15(23)12-9-18-22-7-6-19(3)14(12)22/h6-7,9,11,13H,4-5,8,10,17H2,1-3H3/t11-,13-/m0/s1
InChIKeyMJSWULLMQHFMGO-AAEUAGOBSA-N
MW332.41 g/mol
LogP0.08
Rot. Bonds4

About (2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 56758917) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is (2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide
PubChem CID56758917
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name(2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cnn2ccn(C)c12
InChIInChI=1S/C16H24N6O2/c1-4-20(5-2)16(24)13-8-11(17)10-21(13)15(23)12-9-18-22-7-6-19(3)14(12)22/h6-7,9,11,13H,4-5,8,10,17H2,1-3H3/t11-,13-/m0/s1
InChIKeyMJSWULLMQHFMGO-AAEUAGOBSA-N
XLogP0.08
TPSA88.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide (CID 56758917) is (2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cnn2ccn(C)c12.
What is the InChIKey of (2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is MJSWULLMQHFMGO-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-4-20(5-2)16(24)13-8-11(17)10-21(13)15(23)12-9-18-22-7-6-19(3)14(12)22/h6-7,9,11,13H,4-5,8,10,17H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56758917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).