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

C19H22N6 — CID 163883273

IUPAC1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2ccc(Cc3cccc(-c4cn[nH]c4)c3)nn2)C1
InChIInChI=1S/C19H22N6/c20-17-5-2-8-25(13-17)19-7-6-18(23-24-19)10-14-3-1-4-15(9-14)16-11-21-22-12-16/h1,3-4,6-7,9,11-12,17H,2,5,8,10,13,20H2,(H,21,22)
InChIKeyPVDJLKSFBYDMDB-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.38
Rot. Bonds4

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

1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-3-amine (PubChem CID 163883273) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-3-amine
PubChem CID163883273
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2ccc(Cc3cccc(-c4cn[nH]c4)c3)nn2)C1
InChIInChI=1S/C19H22N6/c20-17-5-2-8-25(13-17)19-7-6-18(23-24-19)10-14-3-1-4-15(9-14)16-11-21-22-12-16/h1,3-4,6-7,9,11-12,17H,2,5,8,10,13,20H2,(H,21,22)
InChIKeyPVDJLKSFBYDMDB-UHFFFAOYSA-N
XLogP2.38
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-3-amine?
The IUPAC name of 1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-3-amine (CID 163883273) is 1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-3-amine is NC1CCCN(c2ccc(Cc3cccc(-c4cn[nH]c4)c3)nn2)C1.
What is the InChIKey of 1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-3-amine?
The InChIKey is PVDJLKSFBYDMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c20-17-5-2-8-25(13-17)19-7-6-18(23-24-19)10-14-3-1-4-15(9-14)16-11-21-22-12-16/h1,3-4,6-7,9,11-12,17H,2,5,8,10,13,20H2,(H,21,22).
What are the key properties of 1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-3-amine?
1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-3-amine has a molecular weight of 334.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-3-amine is sourced from PubChem (CID 163883273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).