2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride

C8H16ClN3O — CID 126965228

IUPAC2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride
SMILESCCCNc1ccn(CCO)n1.Cl
InChIInChI=1S/C8H15N3O.ClH/c1-2-4-9-8-3-5-11(10-8)6-7-12;/h3,5,12H,2,4,6-7H2,1H3,(H,9,10);1H
InChIKeyBZSSDCTZJYAPQG-UHFFFAOYSA-N
MW205.69 g/mol
LogP1.12
Rot. Bonds5

About 2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride

2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride (PubChem CID 126965228) has the molecular formula C8H16ClN3O and a molecular weight of 205.69 g/mol. Its IUPAC name is 2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride
PubChem CID126965228
Molecular FormulaC8H16ClN3O
Molecular Weight205.69 g/mol
Exact Mass205.10
IUPAC Name2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride
SMILESCCCNc1ccn(CCO)n1.Cl
InChIInChI=1S/C8H15N3O.ClH/c1-2-4-9-8-3-5-11(10-8)6-7-12;/h3,5,12H,2,4,6-7H2,1H3,(H,9,10);1H
InChIKeyBZSSDCTZJYAPQG-UHFFFAOYSA-N
XLogP1.12
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride (CID 126965228) is 2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride is CCCNc1ccn(CCO)n1.Cl.
What is the InChIKey of 2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride?
The InChIKey is BZSSDCTZJYAPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.ClH/c1-2-4-9-8-3-5-11(10-8)6-7-12;/h3,5,12H,2,4,6-7H2,1H3,(H,9,10);1H.
What are the key properties of 2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride?
2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride has a molecular weight of 205.69 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 126965228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).