1-[6-[3-(1H-pyrazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-3-amine

C18H20N6O — CID 162705859

IUPAC1-[6-[3-(1H-pyrazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2ccc(Oc3cccc(-c4cn[nH]c4)c3)nn2)C1
InChIInChI=1S/C18H20N6O/c19-15-4-2-8-24(12-15)17-6-7-18(23-22-17)25-16-5-1-3-13(9-16)14-10-20-21-11-14/h1,3,5-7,9-11,15H,2,4,8,12,19H2,(H,20,21)
InChIKeyQHFFNIUMVUQKJR-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.59
Rot. Bonds4

About 1-[6-[3-(1H-pyrazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-3-amine

1-[6-[3-(1H-pyrazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-3-amine (PubChem CID 162705859) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[6-[3-(1H-pyrazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[6-[3-(1H-pyrazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-3-amine
PubChem CID162705859
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-[6-[3-(1H-pyrazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2ccc(Oc3cccc(-c4cn[nH]c4)c3)nn2)C1
InChIInChI=1S/C18H20N6O/c19-15-4-2-8-24(12-15)17-6-7-18(23-22-17)25-16-5-1-3-13(9-16)14-10-20-21-11-14/h1,3,5-7,9-11,15H,2,4,8,12,19H2,(H,20,21)
InChIKeyQHFFNIUMVUQKJR-UHFFFAOYSA-N
XLogP2.59
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-3-amine
CID 163883273
1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 56771509
1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-4-amine
CID 163821520
(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine
CID 86318137
2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
CID 165053503
(3R)-1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-amine
CID 95361082
1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine
CID 56770727
1-pyridazin-3-ylpiperidin-3-amine
CID 54593919
(3S)-1-pyrazin-2-ylpiperidin-3-amine
CID 86277059
1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-amine
CID 83832620
2-[6-[3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 167504154
1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride
CID 168974066

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(1H-pyrazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-3-amine?
The IUPAC name of 1-[6-[3-(1H-pyrazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-3-amine (CID 162705859) is 1-[6-[3-(1H-pyrazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[6-[3-(1H-pyrazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[6-[3-(1H-pyrazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-3-amine is NC1CCCN(c2ccc(Oc3cccc(-c4cn[nH]c4)c3)nn2)C1.
What is the InChIKey of 1-[6-[3-(1H-pyrazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-3-amine?
The InChIKey is QHFFNIUMVUQKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c19-15-4-2-8-24(12-15)17-6-7-18(23-22-17)25-16-5-1-3-13(9-16)14-10-20-21-11-14/h1,3,5-7,9-11,15H,2,4,8,12,19H2,(H,20,21).
What are the key properties of 1-[6-[3-(1H-pyrazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-3-amine?
1-[6-[3-(1H-pyrazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-3-amine has a molecular weight of 336.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(1H-pyrazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-3-amine is sourced from PubChem (CID 162705859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).