[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone

C14H24N4O2 — CID 107211825

IUPAC[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)c2cnn(CCCN)c2C)C1
InChIInChI=1S/C14H24N4O2/c1-3-5-14(20)9-17(10-14)13(19)12-8-16-18(11(12)2)7-4-6-15/h8,20H,3-7,9-10,15H2,1-2H3
InChIKeyIASSYSAXAJVHHK-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.53
Rot. Bonds6

About [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone

[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone (PubChem CID 107211825) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
PubChem CID107211825
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)c2cnn(CCCN)c2C)C1
InChIInChI=1S/C14H24N4O2/c1-3-5-14(20)9-17(10-14)13(19)12-8-16-18(11(12)2)7-4-6-15/h8,20H,3-7,9-10,15H2,1-2H3
InChIKeyIASSYSAXAJVHHK-UHFFFAOYSA-N
XLogP0.53
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The IUPAC name of [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone (CID 107211825) is [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone.
What is the SMILES notation for [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The canonical SMILES for [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone is CCCC1(O)CN(C(=O)c2cnn(CCCN)c2C)C1.
What is the InChIKey of [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The InChIKey is IASSYSAXAJVHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-5-14(20)9-17(10-14)13(19)12-8-16-18(11(12)2)7-4-6-15/h8,20H,3-7,9-10,15H2,1-2H3.
What are the key properties of [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone is sourced from PubChem (CID 107211825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).