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

C21H21N5O2 — CID 20959228

IUPACN-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-amine
SMILESCOc1ccc(Nc2nnc(-n3nc(C)cc3C)c3ccccc23)cc1OC
InChIInChI=1S/C21H21N5O2/c1-13-11-14(2)26(25-13)21-17-8-6-5-7-16(17)20(23-24-21)22-15-9-10-18(27-3)19(12-15)28-4/h5-12H,1-4H3,(H,22,23)
InChIKeyXFCATSDMILILAD-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.19
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-amine (PubChem CID 20959228) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-amine
PubChem CID20959228
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-amine
SMILESCOc1ccc(Nc2nnc(-n3nc(C)cc3C)c3ccccc23)cc1OC
InChIInChI=1S/C21H21N5O2/c1-13-11-14(2)26(25-13)21-17-8-6-5-7-16(17)20(23-24-21)22-15-9-10-18(27-3)19(12-15)28-4/h5-12H,1-4H3,(H,22,23)
InChIKeyXFCATSDMILILAD-UHFFFAOYSA-N
XLogP4.19
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-amine (CID 20959228) is N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-amine is COc1ccc(Nc2nnc(-n3nc(C)cc3C)c3ccccc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-amine?
The InChIKey is XFCATSDMILILAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-11-14(2)26(25-13)21-17-8-6-5-7-16(17)20(23-24-21)22-15-9-10-18(27-3)19(12-15)28-4/h5-12H,1-4H3,(H,22,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-amine?
N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-amine has a molecular weight of 375.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-amine is sourced from PubChem (CID 20959228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).