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

C10H16N4O2 — CID 168661317

IUPAC4-(aminomethyl)-1-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2cnn(CCO)c2)C1
InChIInChI=1S/C10H16N4O2/c11-4-8-3-10(16)14(6-8)9-5-12-13(7-9)1-2-15/h5,7-8,15H,1-4,6,11H2
InChIKeyHALQQYCPYLROFO-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.81
Rot. Bonds4

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

4-(aminomethyl)-1-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 168661317) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrrolidin-2-one
PubChem CID168661317
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-(aminomethyl)-1-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2cnn(CCO)c2)C1
InChIInChI=1S/C10H16N4O2/c11-4-8-3-10(16)14(6-8)9-5-12-13(7-9)1-2-15/h5,7-8,15H,1-4,6,11H2
InChIKeyHALQQYCPYLROFO-UHFFFAOYSA-N
XLogP-0.81
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-1-(1-propylpyrazol-4-yl)pyrrolidin-2-one
CID 168659272
[1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677743
1-(1-propylpyrazol-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669791
4-(aminomethyl)-1-[3,5-bis(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168661123
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795
4-(aminomethyl)-1-(1-methylindazol-6-yl)pyrrolidin-2-one
CID 168660102
4-(aminomethyl)-1-(1-methylindazol-5-yl)pyrrolidin-2-one
CID 168660104
4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one
CID 168660099
1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-ethenylpyrrolidin-2-one
CID 168684258
4-(aminomethyl)-1-[4-(azepan-1-yl)phenyl]pyrrolidin-2-one
CID 168660723
4-(aminomethyl)-1-[9-(2-hydroxyethyl)purin-6-yl]pyrrolidin-2-one
CID 168661063
4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168661197

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrrolidin-2-one (CID 168661317) is 4-(aminomethyl)-1-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrrolidin-2-one is NCC1CC(=O)N(c2cnn(CCO)c2)C1.
What is the InChIKey of 4-(aminomethyl)-1-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is HALQQYCPYLROFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-4-8-3-10(16)14(6-8)9-5-12-13(7-9)1-2-15/h5,7-8,15H,1-4,6,11H2.
What are the key properties of 4-(aminomethyl)-1-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrrolidin-2-one?
4-(aminomethyl)-1-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 224.26 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 168661317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).