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

C19H22N6 — CID 163821520

IUPAC1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-4-amine
SMILESNC1CCN(c2ccc(Cc3cccc(-c4cn[nH]c4)c3)nn2)CC1
InChIInChI=1S/C19H22N6/c20-17-6-8-25(9-7-17)19-5-4-18(23-24-19)11-14-2-1-3-15(10-14)16-12-21-22-13-16/h1-5,10,12-13,17H,6-9,11,20H2,(H,21,22)
InChIKeyNVVVUURUOOKYTM-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.38
Rot. Bonds4

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

1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-4-amine (PubChem CID 163821520) 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-4-amine.

Molecular Properties

Compound Name1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-4-amine
PubChem CID163821520
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-4-amine
SMILESNC1CCN(c2ccc(Cc3cccc(-c4cn[nH]c4)c3)nn2)CC1
InChIInChI=1S/C19H22N6/c20-17-6-8-25(9-7-17)19-5-4-18(23-24-19)11-14-2-1-3-15(10-14)16-12-21-22-13-16/h1-5,10,12-13,17H,6-9,11,20H2,(H,21,22)
InChIKeyNVVVUURUOOKYTM-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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Related Compounds

1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-3-amine
CID 163883273
1-[6-[3-(1H-pyrazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-3-amine
CID 162705859
[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-[4-(1H-pyrazol-4-yl)phenyl]methanone
CID 162705912
1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770269
3-(4-benzylpiperidin-1-yl)-6-(chloromethyl)pyridazine
CID 61255755
1-(6-methylpyridazin-3-yl)piperidin-4-amine
CID 61311173
6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole
CID 166240164
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-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224093
3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine
CID 61421837

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-4-amine (CID 163821520) is 1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-4-amine is NC1CCN(c2ccc(Cc3cccc(-c4cn[nH]c4)c3)nn2)CC1.
What is the InChIKey of 1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-4-amine?
The InChIKey is NVVVUURUOOKYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c20-17-6-8-25(9-7-17)19-5-4-18(23-24-19)11-14-2-1-3-15(10-14)16-12-21-22-13-16/h1-5,10,12-13,17H,6-9,11,20H2,(H,21,22).
What are the key properties of 1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-4-amine?
1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-4-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-4-amine is sourced from PubChem (CID 163821520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).