[4-[5-(piperidin-4-ylmethoxy)-3-pyrazol-1-ylpyrazin-2-yl]phenyl]methanamine

C20H24N6O — CID 164623889

IUPAC[4-[5-(piperidin-4-ylmethoxy)-3-pyrazol-1-ylpyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-n2cccn2)cc1
InChIInChI=1S/C20H24N6O/c21-12-15-2-4-17(5-3-15)19-20(26-11-1-8-24-26)25-18(13-23-19)27-14-16-6-9-22-10-7-16/h1-5,8,11,13,16,22H,6-7,9-10,12,14,21H2
InChIKeyMMBCQDARKFELRJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.17
Rot. Bonds6

About [4-[5-(piperidin-4-ylmethoxy)-3-pyrazol-1-ylpyrazin-2-yl]phenyl]methanamine

[4-[5-(piperidin-4-ylmethoxy)-3-pyrazol-1-ylpyrazin-2-yl]phenyl]methanamine (PubChem CID 164623889) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is [4-[5-(piperidin-4-ylmethoxy)-3-pyrazol-1-ylpyrazin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(piperidin-4-ylmethoxy)-3-pyrazol-1-ylpyrazin-2-yl]phenyl]methanamine
PubChem CID164623889
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name[4-[5-(piperidin-4-ylmethoxy)-3-pyrazol-1-ylpyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-n2cccn2)cc1
InChIInChI=1S/C20H24N6O/c21-12-15-2-4-17(5-3-15)19-20(26-11-1-8-24-26)25-18(13-23-19)27-14-16-6-9-22-10-7-16/h1-5,8,11,13,16,22H,6-7,9-10,12,14,21H2
InChIKeyMMBCQDARKFELRJ-UHFFFAOYSA-N
XLogP2.17
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(piperidin-4-ylmethoxy)-3-pyrazol-1-ylpyrazin-2-yl]phenyl]methanamine?
The IUPAC name of [4-[5-(piperidin-4-ylmethoxy)-3-pyrazol-1-ylpyrazin-2-yl]phenyl]methanamine (CID 164623889) is [4-[5-(piperidin-4-ylmethoxy)-3-pyrazol-1-ylpyrazin-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-(piperidin-4-ylmethoxy)-3-pyrazol-1-ylpyrazin-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-(piperidin-4-ylmethoxy)-3-pyrazol-1-ylpyrazin-2-yl]phenyl]methanamine is NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-n2cccn2)cc1.
What is the InChIKey of [4-[5-(piperidin-4-ylmethoxy)-3-pyrazol-1-ylpyrazin-2-yl]phenyl]methanamine?
The InChIKey is MMBCQDARKFELRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c21-12-15-2-4-17(5-3-15)19-20(26-11-1-8-24-26)25-18(13-23-19)27-14-16-6-9-22-10-7-16/h1-5,8,11,13,16,22H,6-7,9-10,12,14,21H2.
What are the key properties of [4-[5-(piperidin-4-ylmethoxy)-3-pyrazol-1-ylpyrazin-2-yl]phenyl]methanamine?
[4-[5-(piperidin-4-ylmethoxy)-3-pyrazol-1-ylpyrazin-2-yl]phenyl]methanamine has a molecular weight of 364.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(piperidin-4-ylmethoxy)-3-pyrazol-1-ylpyrazin-2-yl]phenyl]methanamine is sourced from PubChem (CID 164623889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).