(4R,5R)-4-amino-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one

C11H16N4O — CID 119056816

IUPAC(4R,5R)-4-amino-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCn1nccc1[C@H]1[C@H](N)CC(=O)N1C1CC1
InChIInChI=1S/C11H16N4O/c1-14-9(4-5-13-14)11-8(12)6-10(16)15(11)7-2-3-7/h4-5,7-8,11H,2-3,6,12H2,1H3/t8-,11-/m1/s1
InChIKeyFKINRLXRSNXXEU-LDYMZIIASA-N
MW220.28 g/mol
LogP0.18
Rot. Bonds2

About (4R,5R)-4-amino-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one

(4R,5R)-4-amino-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 119056816) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (4R,5R)-4-amino-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-amino-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID119056816
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(4R,5R)-4-amino-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCn1nccc1[C@H]1[C@H](N)CC(=O)N1C1CC1
InChIInChI=1S/C11H16N4O/c1-14-9(4-5-13-14)11-8(12)6-10(16)15(11)7-2-3-7/h4-5,7-8,11H,2-3,6,12H2,1H3/t8-,11-/m1/s1
InChIKeyFKINRLXRSNXXEU-LDYMZIIASA-N
XLogP0.18
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-amino-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of (4R,5R)-4-amino-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one (CID 119056816) is (4R,5R)-4-amino-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-4-amino-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for (4R,5R)-4-amino-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one is Cn1nccc1[C@H]1[C@H](N)CC(=O)N1C1CC1.
What is the InChIKey of (4R,5R)-4-amino-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is FKINRLXRSNXXEU-LDYMZIIASA-N. The full InChI is InChI=1S/C11H16N4O/c1-14-9(4-5-13-14)11-8(12)6-10(16)15(11)7-2-3-7/h4-5,7-8,11H,2-3,6,12H2,1H3/t8-,11-/m1/s1.
What are the key properties of (4R,5R)-4-amino-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
(4R,5R)-4-amino-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 220.28 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-amino-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 119056816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).