1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine

C25H28N6 — CID 22433550

IUPAC1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine
SMILESCc1cccc(N2CCN(c3nnc(-n4nc(C)cc4C)c4ccccc34)CC2C)c1
InChIInChI=1S/C25H28N6/c1-17-8-7-9-21(14-17)30-13-12-29(16-20(30)4)24-22-10-5-6-11-23(22)25(27-26-24)31-19(3)15-18(2)28-31/h5-11,14-15,20H,12-13,16H2,1-4H3
InChIKeyNGLAYVQJMMPILY-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.46
Rot. Bonds3

About 1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine

1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine (PubChem CID 22433550) has the molecular formula C25H28N6 and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine
PubChem CID22433550
Molecular FormulaC25H28N6
Molecular Weight412.54 g/mol
Exact Mass412.24
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine
SMILESCc1cccc(N2CCN(c3nnc(-n4nc(C)cc4C)c4ccccc34)CC2C)c1
InChIInChI=1S/C25H28N6/c1-17-8-7-9-21(14-17)30-13-12-29(16-20(30)4)24-22-10-5-6-11-23(22)25(27-26-24)31-19(3)15-18(2)28-31/h5-11,14-15,20H,12-13,16H2,1-4H3
InChIKeyNGLAYVQJMMPILY-UHFFFAOYSA-N
XLogP4.46
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine
CID 15124627
1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine
CID 15124641
1-benzyl-4-[(3R)-3-methyl-4-(4-methylphenyl)piperazin-1-yl]phthalazine
CID 137497160
1-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)phthalazine
CID 6401162
1-(2-methyl-4-phenylpiperazin-1-yl)-4-phenylphthalazine
CID 91098863
5-acetamido-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 98747638
1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 11896077
4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 3511177
2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine
CID 6482920
[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone
CID 92876993
5-(methanesulfonamido)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 92746310
4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidine
CID 27537562

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine (CID 22433550) is 1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine is Cc1cccc(N2CCN(c3nnc(-n4nc(C)cc4C)c4ccccc34)CC2C)c1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine?
The InChIKey is NGLAYVQJMMPILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6/c1-17-8-7-9-21(14-17)30-13-12-29(16-20(30)4)24-22-10-5-6-11-23(22)25(27-26-24)31-19(3)15-18(2)28-31/h5-11,14-15,20H,12-13,16H2,1-4H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine?
1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine has a molecular weight of 412.54 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine is sourced from PubChem (CID 22433550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).