3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol

C12H23N3O2 — CID 106175484

IUPAC3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC(O)Cn1cccn1
InChIInChI=1S/C12H23N3O2/c1-3-12(2,5-8-16)13-9-11(17)10-15-7-4-6-14-15/h4,6-7,11,13,16-17H,3,5,8-10H2,1-2H3
InChIKeyCYKPVZFNNRBUTJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.38
Rot. Bonds8

About 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol

3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol (PubChem CID 106175484) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol
PubChem CID106175484
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC(O)Cn1cccn1
InChIInChI=1S/C12H23N3O2/c1-3-12(2,5-8-16)13-9-11(17)10-15-7-4-6-14-15/h4,6-7,11,13,16-17H,3,5,8-10H2,1-2H3
InChIKeyCYKPVZFNNRBUTJ-UHFFFAOYSA-N
XLogP0.38
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol (CID 106175484) is 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol is CCC(C)(CCO)NCC(O)Cn1cccn1.
What is the InChIKey of 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol?
The InChIKey is CYKPVZFNNRBUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-12(2,5-8-16)13-9-11(17)10-15-7-4-6-14-15/h4,6-7,11,13,16-17H,3,5,8-10H2,1-2H3.
What are the key properties of 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol?
3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106175484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).