6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine

C22H25N7 — CID 133380129

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(NCc3cn(-c4ccccc4)nc3C(C)C)nn2)n1
InChIInChI=1S/C22H25N7/c1-15(2)22-18(14-28(27-22)19-8-6-5-7-9-19)13-23-20-10-11-21(25-24-20)29-17(4)12-16(3)26-29/h5-12,14-15H,13H2,1-4H3,(H,23,24)
InChIKeyMROJFHBSPOJOAN-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.20
Rot. Bonds6

About 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine (PubChem CID 133380129) has the molecular formula C22H25N7 and a molecular weight of 387.49 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine
PubChem CID133380129
Molecular FormulaC22H25N7
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(NCc3cn(-c4ccccc4)nc3C(C)C)nn2)n1
InChIInChI=1S/C22H25N7/c1-15(2)22-18(14-28(27-22)19-8-6-5-7-9-19)13-23-20-10-11-21(25-24-20)29-17(4)12-16(3)26-29/h5-12,14-15H,13H2,1-4H3,(H,23,24)
InChIKeyMROJFHBSPOJOAN-UHFFFAOYSA-N
XLogP4.20
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine with MolForge

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Related Compounds

6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile
CID 133420123
6-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridazin-3-amine
CID 133444843
N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 133380218
2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol
CID 133477233
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 16654431
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxyphenoxy)propyl]pyridazin-3-amine
CID 133323969
N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine
CID 71845500
N-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
CID 112818314
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-4-phenylbenzenesulfonamide
CID 122293009
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid
CID 120964362
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-fluorobenzamide
CID 16654494
1-(4-benzylpiperidin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethanone
CID 133342576

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine (CID 133380129) is 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine is Cc1cc(C)n(-c2ccc(NCc3cn(-c4ccccc4)nc3C(C)C)nn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine?
The InChIKey is MROJFHBSPOJOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7/c1-15(2)22-18(14-28(27-22)19-8-6-5-7-9-19)13-23-20-10-11-21(25-24-20)29-17(4)12-16(3)26-29/h5-12,14-15H,13H2,1-4H3,(H,23,24).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine has a molecular weight of 387.49 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 133380129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).