2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride

C9H18ClN3O — CID 126964216

IUPAC2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride
SMILESCC(C)CNc1cnn(CCO)c1.Cl
InChIInChI=1S/C9H17N3O.ClH/c1-8(2)5-10-9-6-11-12(7-9)3-4-13;/h6-8,10,13H,3-5H2,1-2H3;1H
InChIKeyREJXXNOSTMLZJB-UHFFFAOYSA-N
MW219.72 g/mol
LogP1.37
Rot. Bonds5

About 2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride

2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride (PubChem CID 126964216) has the molecular formula C9H18ClN3O and a molecular weight of 219.72 g/mol. Its IUPAC name is 2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride
PubChem CID126964216
Molecular FormulaC9H18ClN3O
Molecular Weight219.72 g/mol
Exact Mass219.11
IUPAC Name2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride
SMILESCC(C)CNc1cnn(CCO)c1.Cl
InChIInChI=1S/C9H17N3O.ClH/c1-8(2)5-10-9-6-11-12(7-9)3-4-13;/h6-8,10,13H,3-5H2,1-2H3;1H
InChIKeyREJXXNOSTMLZJB-UHFFFAOYSA-N
XLogP1.37
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965274
2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol
CID 115922691
ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol
CID 171834591
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965409
2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928974
2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol
CID 141287434
2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 110928879
2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol
CID 110928797
(2R)-1-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 96705490
2-(4-butan-2-ylpyrazol-1-yl)ethanol
CID 146424198
2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110019149

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride (CID 126964216) is 2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride is CC(C)CNc1cnn(CCO)c1.Cl.
What is the InChIKey of 2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride?
The InChIKey is REJXXNOSTMLZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.ClH/c1-8(2)5-10-9-6-11-12(7-9)3-4-13;/h6-8,10,13H,3-5H2,1-2H3;1H.
What are the key properties of 2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride?
2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride has a molecular weight of 219.72 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 126964216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).