4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)phthalazin-1-amine

C21H21N5O — CID 15990027

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)phthalazin-1-amine
SMILESCCOc1ccc(Nc2nnc(-n3nc(C)cc3C)c3ccccc23)cc1
InChIInChI=1S/C21H21N5O/c1-4-27-17-11-9-16(10-12-17)22-20-18-7-5-6-8-19(18)21(24-23-20)26-15(3)13-14(2)25-26/h5-13H,4H2,1-3H3,(H,22,23)
InChIKeyMYKYLKPCRFMHHY-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.57
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)phthalazin-1-amine

4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)phthalazin-1-amine (PubChem CID 15990027) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)phthalazin-1-amine
PubChem CID15990027
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)phthalazin-1-amine
SMILESCCOc1ccc(Nc2nnc(-n3nc(C)cc3C)c3ccccc23)cc1
InChIInChI=1S/C21H21N5O/c1-4-27-17-11-9-16(10-12-17)22-20-18-7-5-6-8-19(18)21(24-23-20)26-15(3)13-14(2)25-26/h5-13H,4H2,1-3H3,(H,22,23)
InChIKeyMYKYLKPCRFMHHY-UHFFFAOYSA-N
XLogP4.57
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)phthalazin-1-amine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)phthalazin-1-amine (CID 15990027) is 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)phthalazin-1-amine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)phthalazin-1-amine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)phthalazin-1-amine is CCOc1ccc(Nc2nnc(-n3nc(C)cc3C)c3ccccc23)cc1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)phthalazin-1-amine?
The InChIKey is MYKYLKPCRFMHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-4-27-17-11-9-16(10-12-17)22-20-18-7-5-6-8-19(18)21(24-23-20)26-15(3)13-14(2)25-26/h5-13H,4H2,1-3H3,(H,22,23).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)phthalazin-1-amine?
4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)phthalazin-1-amine has a molecular weight of 359.43 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)phthalazin-1-amine is sourced from PubChem (CID 15990027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).