[1-methyl-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclopentyl]methanol

C15H21N5O — CID 71871516

IUPAC[1-methyl-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclopentyl]methanol
SMILESCc1ccn(-c2ccc(NC3CCCC3(C)CO)nn2)n1
InChIInChI=1S/C15H21N5O/c1-11-7-9-20(19-11)14-6-5-13(17-18-14)16-12-4-3-8-15(12,2)10-21/h5-7,9,12,21H,3-4,8,10H2,1-2H3,(H,16,17)
InChIKeyNHVHUQSWEFLMHI-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.93
Rot. Bonds4

About [1-methyl-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclopentyl]methanol

[1-methyl-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclopentyl]methanol (PubChem CID 71871516) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is [1-methyl-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-methyl-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclopentyl]methanol
PubChem CID71871516
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name[1-methyl-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclopentyl]methanol
SMILESCc1ccn(-c2ccc(NC3CCCC3(C)CO)nn2)n1
InChIInChI=1S/C15H21N5O/c1-11-7-9-20(19-11)14-6-5-13(17-18-14)16-12-4-3-8-15(12,2)10-21/h5-7,9,12,21H,3-4,8,10H2,1-2H3,(H,16,17)
InChIKeyNHVHUQSWEFLMHI-UHFFFAOYSA-N
XLogP1.93
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclopentyl]methanol?
The IUPAC name of [1-methyl-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclopentyl]methanol (CID 71871516) is [1-methyl-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [1-methyl-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [1-methyl-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclopentyl]methanol is Cc1ccn(-c2ccc(NC3CCCC3(C)CO)nn2)n1.
What is the InChIKey of [1-methyl-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclopentyl]methanol?
The InChIKey is NHVHUQSWEFLMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-7-9-20(19-11)14-6-5-13(17-18-14)16-12-4-3-8-15(12,2)10-21/h5-7,9,12,21H,3-4,8,10H2,1-2H3,(H,16,17).
What are the key properties of [1-methyl-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclopentyl]methanol?
[1-methyl-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclopentyl]methanol has a molecular weight of 287.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 71871516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).