2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride

C13H22ClN5O — CID 126965274

IUPAC2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride
SMILESCC(C)Cn1nccc1CNc1cnn(CCO)c1.Cl
InChIInChI=1S/C13H21N5O.ClH/c1-11(2)9-18-13(3-4-15-18)8-14-12-7-16-17(10-12)5-6-19;/h3-4,7,10-11,14,19H,5-6,8-9H2,1-2H3;1H
InChIKeyXTAAAGJDFRNOIJ-UHFFFAOYSA-N
MW299.81 g/mol
LogP1.76
Rot. Bonds7

About 2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride

2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride (PubChem CID 126965274) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride
PubChem CID126965274
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride
SMILESCC(C)Cn1nccc1CNc1cnn(CCO)c1.Cl
InChIInChI=1S/C13H21N5O.ClH/c1-11(2)9-18-13(3-4-15-18)8-14-12-7-16-17(10-12)5-6-19;/h3-4,7,10-11,14,19H,5-6,8-9H2,1-2H3;1H
InChIKeyXTAAAGJDFRNOIJ-UHFFFAOYSA-N
XLogP1.76
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride
CID 126964216
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965183
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 19626405
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126964634
2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965409
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine
CID 122167409
2-chloro-5-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]benzoic acid
CID 166267775
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
2-[4-[(5-bromothiophen-2-yl)methylamino]pyrazol-1-yl]ethanol
CID 115607977
2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110019149
1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126964707
2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol
CID 110928797

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride (CID 126965274) is 2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride is CC(C)Cn1nccc1CNc1cnn(CCO)c1.Cl.
What is the InChIKey of 2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride?
The InChIKey is XTAAAGJDFRNOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O.ClH/c1-11(2)9-18-13(3-4-15-18)8-14-12-7-16-17(10-12)5-6-19;/h3-4,7,10-11,14,19H,5-6,8-9H2,1-2H3;1H.
What are the key properties of 2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride?
2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride has a molecular weight of 299.81 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 126965274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).