4-(aminomethyl)-1-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one

C11H18N4O2 — CID 114256587

IUPAC4-(aminomethyl)-1-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one
SMILESCOc1cc(CN2CC(CN)CC2=O)nn1C
InChIInChI=1S/C11H18N4O2/c1-14-11(17-2)4-9(13-14)7-15-6-8(5-12)3-10(15)16/h4,8H,3,5-7,12H2,1-2H3
InChIKeyNEOIWBWAYCSCFL-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.26
Rot. Bonds4

About 4-(aminomethyl)-1-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one

4-(aminomethyl)-1-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one (PubChem CID 114256587) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one
PubChem CID114256587
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-(aminomethyl)-1-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one
SMILESCOc1cc(CN2CC(CN)CC2=O)nn1C
InChIInChI=1S/C11H18N4O2/c1-14-11(17-2)4-9(13-14)7-15-6-8(5-12)3-10(15)16/h4,8H,3,5-7,12H2,1-2H3
InChIKeyNEOIWBWAYCSCFL-UHFFFAOYSA-N
XLogP-0.26
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one (CID 114256587) is 4-(aminomethyl)-1-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one is COc1cc(CN2CC(CN)CC2=O)nn1C.
What is the InChIKey of 4-(aminomethyl)-1-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one?
The InChIKey is NEOIWBWAYCSCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14-11(17-2)4-9(13-14)7-15-6-8(5-12)3-10(15)16/h4,8H,3,5-7,12H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one has a molecular weight of 238.29 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 114256587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).