2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]-N-ethylacetamide

C20H22Cl2N6O — CID 122446675

IUPAC2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1cc(-c2nnc(NC3CCCC3)c3cc(Cl)c(Cl)cc23)cn1
InChIInChI=1S/C20H22Cl2N6O/c1-2-23-18(29)11-28-10-12(9-24-28)19-14-7-16(21)17(22)8-15(14)20(27-26-19)25-13-5-3-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,23,29)(H,25,27)
InChIKeyJIXPQSUSECWMFS-UHFFFAOYSA-N
MW433.34 g/mol
LogP4.29
Rot. Bonds6

About 2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]-N-ethylacetamide

2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]-N-ethylacetamide (PubChem CID 122446675) has the molecular formula C20H22Cl2N6O and a molecular weight of 433.34 g/mol. Its IUPAC name is 2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]-N-ethylacetamide
PubChem CID122446675
Molecular FormulaC20H22Cl2N6O
Molecular Weight433.34 g/mol
Exact Mass432.12
IUPAC Name2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1cc(-c2nnc(NC3CCCC3)c3cc(Cl)c(Cl)cc23)cn1
InChIInChI=1S/C20H22Cl2N6O/c1-2-23-18(29)11-28-10-12(9-24-28)19-14-7-16(21)17(22)8-15(14)20(27-26-19)25-13-5-3-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,23,29)(H,25,27)
InChIKeyJIXPQSUSECWMFS-UHFFFAOYSA-N
XLogP4.29
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]ethyl]acetamide
CID 140855869
[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl] 3,3-dimethylbutanoate
CID 122446721
1-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropan-1-one
CID 122446711
6,7-dichloro-N-cyclopentyl-4-(2-piperazin-1-yl-4-pyridinyl)phthalazin-1-amine
CID 122446737
2-[4-(cycloheptylamino)pyrazol-1-yl]acetamide
CID 43695123
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide
CID 66193582
2-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pyrazol-1-yl]-N-cyclopentylacetamide
CID 133360496
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-N-propylacetamide
CID 136513043
4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide
CID 100829513
1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119502724
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide
CID 49054716

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]-N-ethylacetamide (CID 122446675) is 2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]-N-ethylacetamide is CCNC(=O)Cn1cc(-c2nnc(NC3CCCC3)c3cc(Cl)c(Cl)cc23)cn1.
What is the InChIKey of 2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]-N-ethylacetamide?
The InChIKey is JIXPQSUSECWMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N6O/c1-2-23-18(29)11-28-10-12(9-24-28)19-14-7-16(21)17(22)8-15(14)20(27-26-19)25-13-5-3-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,23,29)(H,25,27).
What are the key properties of 2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]-N-ethylacetamide?
2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]-N-ethylacetamide has a molecular weight of 433.34 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]-N-ethylacetamide is sourced from PubChem (CID 122446675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).