5-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]pentan-1-ol

C12H23N3O — CID 62229415

IUPAC5-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]pentan-1-ol
SMILESCNCc1c(C)nn(CCCCCO)c1C
InChIInChI=1S/C12H23N3O/c1-10-12(9-13-3)11(2)15(14-10)7-5-4-6-8-16/h13,16H,4-9H2,1-3H3
InChIKeyWPEWBZTYFBUEDU-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.38
Rot. Bonds7

About 5-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]pentan-1-ol

5-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]pentan-1-ol (PubChem CID 62229415) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]pentan-1-ol
PubChem CID62229415
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name5-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]pentan-1-ol
SMILESCNCc1c(C)nn(CCCCCO)c1C
InChIInChI=1S/C12H23N3O/c1-10-12(9-13-3)11(2)15(14-10)7-5-4-6-8-16/h13,16H,4-9H2,1-3H3
InChIKeyWPEWBZTYFBUEDU-UHFFFAOYSA-N
XLogP1.38
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]pentan-1-ol?
The IUPAC name of 5-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]pentan-1-ol (CID 62229415) is 5-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]pentan-1-ol?
The canonical SMILES for 5-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]pentan-1-ol is CNCc1c(C)nn(CCCCCO)c1C.
What is the InChIKey of 5-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]pentan-1-ol?
The InChIKey is WPEWBZTYFBUEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10-12(9-13-3)11(2)15(14-10)7-5-4-6-8-16/h13,16H,4-9H2,1-3H3.
What are the key properties of 5-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]pentan-1-ol?
5-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]pentan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]pentan-1-ol is sourced from PubChem (CID 62229415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).