[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate

C19H19N5O4 — CID 8785238

IUPAC[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
SMILESO=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccnn1C1CCCC1
InChIInChI=1S/C19H19N5O4/c25-16(21-15-9-10-20-24(15)12-5-1-2-6-12)11-28-19(27)17-13-7-3-4-8-14(13)18(26)23-22-17/h3-4,7-10,12H,1-2,5-6,11H2,(H,21,25)(H,23,26)
InChIKeyLXKOFKLUMUEGAC-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.03
Rot. Bonds5

About [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate (PubChem CID 8785238) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate.

Molecular Properties

Compound Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
PubChem CID8785238
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
SMILESO=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccnn1C1CCCC1
InChIInChI=1S/C19H19N5O4/c25-16(21-15-9-10-20-24(15)12-5-1-2-6-12)11-28-19(27)17-13-7-3-4-8-14(13)18(26)23-22-17/h3-4,7-10,12H,1-2,5-6,11H2,(H,21,25)(H,23,26)
InChIKeyLXKOFKLUMUEGAC-UHFFFAOYSA-N
XLogP2.03
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7838131
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 7812495
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 9406845
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 8708761
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate
CID 7985867
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 8645930
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8534684
[2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7530760
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140097
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952749
N-[2-(cyclohexylmethyl)pyrazol-3-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 166186565
2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide
CID 51145877

Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate?
The IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate (CID 8785238) is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate.
What is the SMILES notation for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate?
The canonical SMILES for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate is O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccnn1C1CCCC1.
What is the InChIKey of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate?
The InChIKey is LXKOFKLUMUEGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c25-16(21-15-9-10-20-24(15)12-5-1-2-6-12)11-28-19(27)17-13-7-3-4-8-14(13)18(26)23-22-17/h3-4,7-10,12H,1-2,5-6,11H2,(H,21,25)(H,23,26).
What are the key properties of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate?
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate has a molecular weight of 381.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate is sourced from PubChem (CID 8785238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).