[1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol

C15H20N4O — CID 126781528

IUPAC[1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol
SMILESOCC1(CNCc2cn[nH]c2-c2cccnc2)CCC1
InChIInChI=1S/C15H20N4O/c20-11-15(4-2-5-15)10-17-8-13-9-18-19-14(13)12-3-1-6-16-7-12/h1,3,6-7,9,17,20H,2,4-5,8,10-11H2,(H,18,19)
InChIKeyYXPXVOCXFUYLBA-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.72
Rot. Bonds6

About [1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol

[1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol (PubChem CID 126781528) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol
PubChem CID126781528
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol
SMILESOCC1(CNCc2cn[nH]c2-c2cccnc2)CCC1
InChIInChI=1S/C15H20N4O/c20-11-15(4-2-5-15)10-17-8-13-9-18-19-14(13)12-3-1-6-16-7-12/h1,3,6-7,9,17,20H,2,4-5,8,10-11H2,(H,18,19)
InChIKeyYXPXVOCXFUYLBA-UHFFFAOYSA-N
XLogP1.72
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol (CID 126781528) is [1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol is OCC1(CNCc2cn[nH]c2-c2cccnc2)CCC1.
What is the InChIKey of [1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol?
The InChIKey is YXPXVOCXFUYLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c20-11-15(4-2-5-15)10-17-8-13-9-18-19-14(13)12-3-1-6-16-7-12/h1,3,6-7,9,17,20H,2,4-5,8,10-11H2,(H,18,19).
What are the key properties of [1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol?
[1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol has a molecular weight of 272.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 126781528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).