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

C20H22Cl2N6O — CID 140855869

IUPACN-[2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1cc(-c2nnc(NC3CCCC3)c3cc(Cl)c(Cl)cc23)cn1
InChIInChI=1S/C20H22Cl2N6O/c1-12(29)23-6-7-28-11-13(10-24-28)19-15-8-17(21)18(22)9-16(15)20(27-26-19)25-14-4-2-3-5-14/h8-11,14H,2-7H2,1H3,(H,23,29)(H,25,27)
InChIKeyZJOWEYNTUPHNRB-UHFFFAOYSA-N
MW433.34 g/mol
LogP4.29
Rot. Bonds6

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

N-[2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]ethyl]acetamide (PubChem CID 140855869) has the molecular formula C20H22Cl2N6O and a molecular weight of 433.34 g/mol. Its IUPAC name is N-[2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]ethyl]acetamide
PubChem CID140855869
Molecular FormulaC20H22Cl2N6O
Molecular Weight433.34 g/mol
Exact Mass432.12
IUPAC NameN-[2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1cc(-c2nnc(NC3CCCC3)c3cc(Cl)c(Cl)cc23)cn1
InChIInChI=1S/C20H22Cl2N6O/c1-12(29)23-6-7-28-11-13(10-24-28)19-15-8-17(21)18(22)9-16(15)20(27-26-19)25-14-4-2-3-5-14/h8-11,14H,2-7H2,1H3,(H,23,29)(H,25,27)
InChIKeyZJOWEYNTUPHNRB-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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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]ethyl]acetamide (CID 140855869) is N-[2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]ethyl]acetamide is CC(=O)NCCn1cc(-c2nnc(NC3CCCC3)c3cc(Cl)c(Cl)cc23)cn1.
What is the InChIKey of N-[2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]ethyl]acetamide?
The InChIKey is ZJOWEYNTUPHNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N6O/c1-12(29)23-6-7-28-11-13(10-24-28)19-15-8-17(21)18(22)9-16(15)20(27-26-19)25-14-4-2-3-5-14/h8-11,14H,2-7H2,1H3,(H,23,29)(H,25,27).
What are the key properties of N-[2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]ethyl]acetamide?
N-[2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]ethyl]acetamide 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 N-[2-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 140855869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).