(5S)-5-[(R)-amino-(3-amino-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-one

C9H15N5O — CID 125449643

IUPAC(5S)-5-[(R)-amino-(3-amino-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-one
SMILESCc1[nH]nc(N)c1[C@@H](N)[C@@H]1CCC(=O)N1
InChIInChI=1S/C9H15N5O/c1-4-7(9(11)14-13-4)8(10)5-2-3-6(15)12-5/h5,8H,2-3,10H2,1H3,(H,12,15)(H3,11,13,14)/t5-,8-/m0/s1
InChIKeyIONZVUNEFQLCEJ-XNCJUZBTSA-N
MW209.25 g/mol
LogP-0.42
Rot. Bonds2

About (5S)-5-[(R)-amino-(3-amino-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-one

(5S)-5-[(R)-amino-(3-amino-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-one (PubChem CID 125449643) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is (5S)-5-[(R)-amino-(3-amino-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(R)-amino-(3-amino-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-one
PubChem CID125449643
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name(5S)-5-[(R)-amino-(3-amino-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-one
SMILESCc1[nH]nc(N)c1[C@@H](N)[C@@H]1CCC(=O)N1
InChIInChI=1S/C9H15N5O/c1-4-7(9(11)14-13-4)8(10)5-2-3-6(15)12-5/h5,8H,2-3,10H2,1H3,(H,12,15)(H3,11,13,14)/t5-,8-/m0/s1
InChIKeyIONZVUNEFQLCEJ-XNCJUZBTSA-N
XLogP-0.42
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(R)-amino-(3-amino-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(R)-amino-(3-amino-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-one (CID 125449643) is (5S)-5-[(R)-amino-(3-amino-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(R)-amino-(3-amino-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(R)-amino-(3-amino-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-one is Cc1[nH]nc(N)c1[C@@H](N)[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-[(R)-amino-(3-amino-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is IONZVUNEFQLCEJ-XNCJUZBTSA-N. The full InChI is InChI=1S/C9H15N5O/c1-4-7(9(11)14-13-4)8(10)5-2-3-6(15)12-5/h5,8H,2-3,10H2,1H3,(H,12,15)(H3,11,13,14)/t5-,8-/m0/s1.
What are the key properties of (5S)-5-[(R)-amino-(3-amino-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-one?
(5S)-5-[(R)-amino-(3-amino-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 209.25 g/mol, XLogP of -0.42, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(R)-amino-(3-amino-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 125449643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).