(2S,4S)-4-amino-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-ethylpyrrolidine-2-carboxamide

C15H25N5O — CID 56718854

IUPAC(2S,4S)-4-amino-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1Cc1cnn(C)c1C1CC1
InChIInChI=1S/C15H25N5O/c1-3-17-15(21)13-6-12(16)9-20(13)8-11-7-18-19(2)14(11)10-4-5-10/h7,10,12-13H,3-6,8-9,16H2,1-2H3,(H,17,21)/t12-,13-/m0/s1
InChIKeyVZFKWSWMWZSSCY-STQMWFEESA-N
MW291.40 g/mol
LogP0.34
Rot. Bonds5

About (2S,4S)-4-amino-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-ethylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-ethylpyrrolidine-2-carboxamide (PubChem CID 56718854) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-ethylpyrrolidine-2-carboxamide
PubChem CID56718854
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(2S,4S)-4-amino-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1Cc1cnn(C)c1C1CC1
InChIInChI=1S/C15H25N5O/c1-3-17-15(21)13-6-12(16)9-20(13)8-11-7-18-19(2)14(11)10-4-5-10/h7,10,12-13H,3-6,8-9,16H2,1-2H3,(H,17,21)/t12-,13-/m0/s1
InChIKeyVZFKWSWMWZSSCY-STQMWFEESA-N
XLogP0.34
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-ethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-ethylpyrrolidine-2-carboxamide (CID 56718854) is (2S,4S)-4-amino-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-ethylpyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](N)CN1Cc1cnn(C)c1C1CC1.
What is the InChIKey of (2S,4S)-4-amino-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-ethylpyrrolidine-2-carboxamide?
The InChIKey is VZFKWSWMWZSSCY-STQMWFEESA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-17-15(21)13-6-12(16)9-20(13)8-11-7-18-19(2)14(11)10-4-5-10/h7,10,12-13H,3-6,8-9,16H2,1-2H3,(H,17,21)/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-ethylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-ethylpyrrolidine-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56718854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).