4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one

C17H17N5O2 — CID 118741468

IUPAC4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C17H17N5O2/c23-16-12-6-2-1-5-11(12)15(20-21-16)17(24)22-10-4-3-7-14(22)13-8-9-18-19-13/h1-2,5-6,8-9,14H,3-4,7,10H2,(H,18,19)(H,21,23)
InChIKeyAGXYZFOIVQUXLN-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.01
Rot. Bonds2

About 4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one

4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one (PubChem CID 118741468) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
PubChem CID118741468
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C17H17N5O2/c23-16-12-6-2-1-5-11(12)15(20-21-16)17(24)22-10-4-3-7-14(22)13-8-9-18-19-13/h1-2,5-6,8-9,14H,3-4,7,10H2,(H,18,19)(H,21,23)
InChIKeyAGXYZFOIVQUXLN-UHFFFAOYSA-N
XLogP2.01
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]-2H-phthalazin-1-one
CID 99953113
4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one
CID 39154920
(2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 123681411
4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one
CID 95579846
[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124641151
4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2H-phthalazin-1-one
CID 71935198
1H-indazol-3-yl-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124997703
4-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 167744195
(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124944774
(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270861
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125002293
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2H-phthalazin-1-one
CID 9070716

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one (CID 118741468) is 4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one is O=C(c1n[nH]c(=O)c2ccccc12)N1CCCCC1c1ccn[nH]1.
What is the InChIKey of 4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one?
The InChIKey is AGXYZFOIVQUXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-16-12-6-2-1-5-11(12)15(20-21-16)17(24)22-10-4-3-7-14(22)13-8-9-18-19-13/h1-2,5-6,8-9,14H,3-4,7,10H2,(H,18,19)(H,21,23).
What are the key properties of 4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one?
4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one has a molecular weight of 323.36 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one is sourced from PubChem (CID 118741468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).