3-[[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methylamino]methyl]pentan-3-ol

C17H26N4O2 — CID 111916604

IUPAC3-[[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1c(C)nn(C)c1Oc1cccnc1
InChIInChI=1S/C17H26N4O2/c1-5-17(22,6-2)12-19-11-15-13(3)20-21(4)16(15)23-14-8-7-9-18-10-14/h7-10,19,22H,5-6,11-12H2,1-4H3
InChIKeyQVFNMPDUCNTQIK-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.56
Rot. Bonds8

About 3-[[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methylamino]methyl]pentan-3-ol

3-[[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methylamino]methyl]pentan-3-ol (PubChem CID 111916604) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methylamino]methyl]pentan-3-ol
PubChem CID111916604
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-[[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1c(C)nn(C)c1Oc1cccnc1
InChIInChI=1S/C17H26N4O2/c1-5-17(22,6-2)12-19-11-15-13(3)20-21(4)16(15)23-14-8-7-9-18-10-14/h7-10,19,22H,5-6,11-12H2,1-4H3
InChIKeyQVFNMPDUCNTQIK-UHFFFAOYSA-N
XLogP2.56
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methylamino]methyl]pentan-3-ol (CID 111916604) is 3-[[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCc1c(C)nn(C)c1Oc1cccnc1.
What is the InChIKey of 3-[[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methylamino]methyl]pentan-3-ol?
The InChIKey is QVFNMPDUCNTQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-5-17(22,6-2)12-19-11-15-13(3)20-21(4)16(15)23-14-8-7-9-18-10-14/h7-10,19,22H,5-6,11-12H2,1-4H3.
What are the key properties of 3-[[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methylamino]methyl]pentan-3-ol?
3-[[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methylamino]methyl]pentan-3-ol has a molecular weight of 318.42 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methylamino]methyl]pentan-3-ol is sourced from PubChem (CID 111916604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).