5-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]pentan-1-ol

C12H23N3O — CID 107203759

IUPAC5-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]pentan-1-ol
SMILESCc1cc(CN(C)CCCCCO)n(C)n1
InChIInChI=1S/C12H23N3O/c1-11-9-12(15(3)13-11)10-14(2)7-5-4-6-8-16/h9,16H,4-8,10H2,1-3H3
InChIKeyDUHSINVAXASOMH-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.32
Rot. Bonds7

About 5-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]pentan-1-ol

5-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]pentan-1-ol (PubChem CID 107203759) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]pentan-1-ol
PubChem CID107203759
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name5-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]pentan-1-ol
SMILESCc1cc(CN(C)CCCCCO)n(C)n1
InChIInChI=1S/C12H23N3O/c1-11-9-12(15(3)13-11)10-14(2)7-5-4-6-8-16/h9,16H,4-8,10H2,1-3H3
InChIKeyDUHSINVAXASOMH-UHFFFAOYSA-N
XLogP1.32
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 259665
Ethanol, 2-[bis[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]amino]-
CID 2755571
4-[[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl](methyl)amino]-2-methylbutan-2-ol
CID 91832922
2-[3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol
CID 122633509
1-[3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol
CID 138654893
trans-(1S,2S)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol
CID 932118
5-{N,N-bis[2-(3,5-dimethyl-1h-pyrazol-1-yl)ethyl] amino}pentanol
CID 57461416
(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 93346551
3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 19621848
3-[(2,5-Dimethylpyrazol-3-yl)methylamino]-2,2-difluoropropan-1-ol
CID 106176584
3-[(2-Ethyl-5-methylpyrazol-3-yl)methylamino]-2,2-difluoropropan-1-ol
CID 106176591
2-[2,2-Difluoroethyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]ethanol
CID 107485053

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]pentan-1-ol?
The IUPAC name of 5-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]pentan-1-ol (CID 107203759) is 5-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]pentan-1-ol is Cc1cc(CN(C)CCCCCO)n(C)n1.
What is the InChIKey of 5-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]pentan-1-ol?
The InChIKey is DUHSINVAXASOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11-9-12(15(3)13-11)10-14(2)7-5-4-6-8-16/h9,16H,4-8,10H2,1-3H3.
What are the key properties of 5-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]pentan-1-ol?
5-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]pentan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]pentan-1-ol is sourced from PubChem (CID 107203759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).