4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one

C15H13N5O2 — CID 126900137

IUPAC4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CC(n2cccn2)C1
InChIInChI=1S/C15H13N5O2/c21-14-12-5-2-1-4-11(12)13(17-18-14)15(22)19-8-10(9-19)20-7-3-6-16-20/h1-7,10H,8-9H2,(H,18,21)
InChIKeyZIKSABZJBHIHHV-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.82
Rot. Bonds2

About 4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one

4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one (PubChem CID 126900137) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one
PubChem CID126900137
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CC(n2cccn2)C1
InChIInChI=1S/C15H13N5O2/c21-14-12-5-2-1-4-11(12)13(17-18-14)15(22)19-8-10(9-19)20-7-3-6-16-20/h1-7,10H,8-9H2,(H,18,21)
InChIKeyZIKSABZJBHIHHV-UHFFFAOYSA-N
XLogP0.82
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 167744195
4-(4-oxopiperidine-1-carbonyl)-2H-phthalazin-1-one
CID 71564575
4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carbonyl]-2H-phthalazin-1-one
CID 77098456
1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 126900110
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2H-phthalazin-1-one
CID 9070716
4-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-2H-phthalazin-1-one
CID 16674823
4-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-2H-phthalazin-1-one
CID 119060005
4-[(1S,5R)-9-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carbonyl]-2H-phthalazin-1-one
CID 135097061
8-methyl-2-(4-oxo-3H-phthalazine-1-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50974829
4-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]-2H-phthalazin-1-one
CID 50960734
4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 17435748
4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one
CID 71943929

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one?
The IUPAC name of 4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one (CID 126900137) is 4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one is O=C(c1n[nH]c(=O)c2ccccc12)N1CC(n2cccn2)C1.
What is the InChIKey of 4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one?
The InChIKey is ZIKSABZJBHIHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c21-14-12-5-2-1-4-11(12)13(17-18-14)15(22)19-8-10(9-19)20-7-3-6-16-20/h1-7,10H,8-9H2,(H,18,21).
What are the key properties of 4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one?
4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one has a molecular weight of 295.30 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one is sourced from PubChem (CID 126900137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).