(4S,5R)-4-(aminomethyl)-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one

C10H16N4O — CID 86767711

IUPAC(4S,5R)-4-(aminomethyl)-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](CN)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C10H16N4O/c1-13-6-8(5-12-13)10-7(4-11)3-9(15)14(10)2/h5-7,10H,3-4,11H2,1-2H3/t7-,10+/m0/s1
InChIKeyAIAMWBJIUOYCKV-OIBJUYFYSA-N
MW208.26 g/mol
LogP-0.10
Rot. Bonds2

About (4S,5R)-4-(aminomethyl)-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one

(4S,5R)-4-(aminomethyl)-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 86767711) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (4S,5R)-4-(aminomethyl)-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-(aminomethyl)-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID86767711
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(4S,5R)-4-(aminomethyl)-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](CN)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C10H16N4O/c1-13-6-8(5-12-13)10-7(4-11)3-9(15)14(10)2/h5-7,10H,3-4,11H2,1-2H3/t7-,10+/m0/s1
InChIKeyAIAMWBJIUOYCKV-OIBJUYFYSA-N
XLogP-0.10
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(aminomethyl)-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (4S,5R)-4-(aminomethyl)-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 86767711) is (4S,5R)-4-(aminomethyl)-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-4-(aminomethyl)-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (4S,5R)-4-(aminomethyl)-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one is CN1C(=O)C[C@@H](CN)[C@@H]1c1cnn(C)c1.
What is the InChIKey of (4S,5R)-4-(aminomethyl)-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is AIAMWBJIUOYCKV-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-6-8(5-12-13)10-7(4-11)3-9(15)14(10)2/h5-7,10H,3-4,11H2,1-2H3/t7-,10+/m0/s1.
What are the key properties of (4S,5R)-4-(aminomethyl)-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
(4S,5R)-4-(aminomethyl)-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 208.26 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(aminomethyl)-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 86767711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).