N-[(1-cyclopentylpyrazol-3-yl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine

C17H21N7 — CID 133385992

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NCc3ccn(C4CCCC4)n3)nn2)n1
InChIInChI=1S/C17H21N7/c1-13-8-10-24(21-13)17-7-6-16(19-20-17)18-12-14-9-11-23(22-14)15-4-2-3-5-15/h6-11,15H,2-5,12H2,1H3,(H,18,19)
InChIKeyDYJYBGWHZNEQGH-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.89
Rot. Bonds5

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine (PubChem CID 133385992) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
PubChem CID133385992
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NCc3ccn(C4CCCC4)n3)nn2)n1
InChIInChI=1S/C17H21N7/c1-13-8-10-24(21-13)17-7-6-16(19-20-17)18-12-14-9-11-23(22-14)15-4-2-3-5-15/h6-11,15H,2-5,12H2,1H3,(H,18,19)
InChIKeyDYJYBGWHZNEQGH-UHFFFAOYSA-N
XLogP2.89
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine (CID 133385992) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine is Cc1ccn(-c2ccc(NCc3ccn(C4CCCC4)n3)nn2)n1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The InChIKey is DYJYBGWHZNEQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-13-8-10-24(21-13)17-7-6-16(19-20-17)18-12-14-9-11-23(22-14)15-4-2-3-5-15/h6-11,15H,2-5,12H2,1H3,(H,18,19).
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine has a molecular weight of 323.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine is sourced from PubChem (CID 133385992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).