4-(aminomethyl)-1-(1-propylpyrazol-4-yl)pyrrolidin-2-one

C11H18N4O — CID 168659272

IUPAC4-(aminomethyl)-1-(1-propylpyrazol-4-yl)pyrrolidin-2-one
SMILESCCCn1cc(N2CC(CN)CC2=O)cn1
InChIInChI=1S/C11H18N4O/c1-2-3-14-8-10(6-13-14)15-7-9(5-12)4-11(15)16/h6,8-9H,2-5,7,12H2,1H3
InChIKeyGEWJHDRUBTYBGH-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.60
Rot. Bonds4

About 4-(aminomethyl)-1-(1-propylpyrazol-4-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(1-propylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 168659272) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(1-propylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(1-propylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID168659272
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(aminomethyl)-1-(1-propylpyrazol-4-yl)pyrrolidin-2-one
SMILESCCCn1cc(N2CC(CN)CC2=O)cn1
InChIInChI=1S/C11H18N4O/c1-2-3-14-8-10(6-13-14)15-7-9(5-12)4-11(15)16/h6,8-9H,2-5,7,12H2,1H3
InChIKeyGEWJHDRUBTYBGH-UHFFFAOYSA-N
XLogP0.60
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(1-propylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(1-propylpyrazol-4-yl)pyrrolidin-2-one (CID 168659272) is 4-(aminomethyl)-1-(1-propylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(1-propylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(1-propylpyrazol-4-yl)pyrrolidin-2-one is CCCn1cc(N2CC(CN)CC2=O)cn1.
What is the InChIKey of 4-(aminomethyl)-1-(1-propylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is GEWJHDRUBTYBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-3-14-8-10(6-13-14)15-7-9(5-12)4-11(15)16/h6,8-9H,2-5,7,12H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(1-propylpyrazol-4-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(1-propylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(1-propylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168659272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).