4-(aminomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one

C10H16N4O — CID 168660249

IUPAC4-(aminomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(CCc2cn[nH]c2)C1
InChIInChI=1S/C10H16N4O/c11-4-9-3-10(15)14(7-9)2-1-8-5-12-13-6-8/h5-6,9H,1-4,7,11H2,(H,12,13)
InChIKeyGTNSUYPRMHCWRT-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.24
Rot. Bonds4

About 4-(aminomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one

4-(aminomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one (PubChem CID 168660249) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one
PubChem CID168660249
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-(aminomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(CCc2cn[nH]c2)C1
InChIInChI=1S/C10H16N4O/c11-4-9-3-10(15)14(7-9)2-1-8-5-12-13-6-8/h5-6,9H,1-4,7,11H2,(H,12,13)
InChIKeyGTNSUYPRMHCWRT-UHFFFAOYSA-N
XLogP-0.24
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one (CID 168660249) is 4-(aminomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one is NCC1CC(=O)N(CCc2cn[nH]c2)C1.
What is the InChIKey of 4-(aminomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one?
The InChIKey is GTNSUYPRMHCWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-4-9-3-10(15)14(7-9)2-1-8-5-12-13-6-8/h5-6,9H,1-4,7,11H2,(H,12,13).
What are the key properties of 4-(aminomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one has a molecular weight of 208.26 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168660249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).