3-[2-(4-aminopyrazol-1-yl)ethyl]-2H-phthalazine-1,4-dione

C13H13N5O2 — CID 62136994

IUPAC3-[2-(4-aminopyrazol-1-yl)ethyl]-2H-phthalazine-1,4-dione
SMILESNc1cnn(CCn2[nH]c(=O)c3ccccc3c2=O)c1
InChIInChI=1S/C13H13N5O2/c14-9-7-15-17(8-9)5-6-18-13(20)11-4-2-1-3-10(11)12(19)16-18/h1-4,7-8H,5-6,14H2,(H,16,19)
InChIKeyQMDJDAMBBFAKCX-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.17
Rot. Bonds3

About 3-[2-(4-aminopyrazol-1-yl)ethyl]-2H-phthalazine-1,4-dione

3-[2-(4-aminopyrazol-1-yl)ethyl]-2H-phthalazine-1,4-dione (PubChem CID 62136994) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-[2-(4-aminopyrazol-1-yl)ethyl]-2H-phthalazine-1,4-dione.

Molecular Properties

Compound Name3-[2-(4-aminopyrazol-1-yl)ethyl]-2H-phthalazine-1,4-dione
PubChem CID62136994
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name3-[2-(4-aminopyrazol-1-yl)ethyl]-2H-phthalazine-1,4-dione
SMILESNc1cnn(CCn2[nH]c(=O)c3ccccc3c2=O)c1
InChIInChI=1S/C13H13N5O2/c14-9-7-15-17(8-9)5-6-18-13(20)11-4-2-1-3-10(11)12(19)16-18/h1-4,7-8H,5-6,14H2,(H,16,19)
InChIKeyQMDJDAMBBFAKCX-UHFFFAOYSA-N
XLogP0.17
TPSA98.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-(4-aminopyrazol-1-yl)ethyl]-2H-phthalazine-1,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one
CID 114760038
3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid
CID 931527
4-[2-(4-aminopyrazol-1-yl)ethyl]-1H-1,2,4-triazol-5-one
CID 107410165
1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-4-amine
CID 62139555
N-(3-aminopropyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 119406745
4-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 104525046
3-[(6-hydrazinyl-3-pyridinyl)methyl]-2H-phthalazine-1,4-dione
CID 62245022
2-[2-(4-aminopyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55039444
1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine
CID 83532506
methyl 4-(1,4-dioxo-3H-phthalazin-2-yl)butanoate
CID 43378338
3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one
CID 63769679
2-(4-aminopyrazol-1-yl)-N-benzylacetamide
CID 28973852

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminopyrazol-1-yl)ethyl]-2H-phthalazine-1,4-dione?
The IUPAC name of 3-[2-(4-aminopyrazol-1-yl)ethyl]-2H-phthalazine-1,4-dione (CID 62136994) is 3-[2-(4-aminopyrazol-1-yl)ethyl]-2H-phthalazine-1,4-dione.
What is the SMILES notation for 3-[2-(4-aminopyrazol-1-yl)ethyl]-2H-phthalazine-1,4-dione?
The canonical SMILES for 3-[2-(4-aminopyrazol-1-yl)ethyl]-2H-phthalazine-1,4-dione is Nc1cnn(CCn2[nH]c(=O)c3ccccc3c2=O)c1.
What is the InChIKey of 3-[2-(4-aminopyrazol-1-yl)ethyl]-2H-phthalazine-1,4-dione?
The InChIKey is QMDJDAMBBFAKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c14-9-7-15-17(8-9)5-6-18-13(20)11-4-2-1-3-10(11)12(19)16-18/h1-4,7-8H,5-6,14H2,(H,16,19).
What are the key properties of 3-[2-(4-aminopyrazol-1-yl)ethyl]-2H-phthalazine-1,4-dione?
3-[2-(4-aminopyrazol-1-yl)ethyl]-2H-phthalazine-1,4-dione has a molecular weight of 271.28 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminopyrazol-1-yl)ethyl]-2H-phthalazine-1,4-dione is sourced from PubChem (CID 62136994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).