2-[3,5-dimethyl-4-[[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-1-yl]ethanol;hydrochloride

C18H25ClN6O — CID 47615212

IUPAC2-[3,5-dimethyl-4-[[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-1-yl]ethanol;hydrochloride
SMILESCc1nn(CCO)c(C)c1CNCc1cccc(Cn2cncn2)c1.Cl
InChIInChI=1S/C18H24N6O.ClH/c1-14-18(15(2)24(22-14)6-7-25)10-19-9-16-4-3-5-17(8-16)11-23-13-20-12-21-23;/h3-5,8,12-13,19,25H,6-7,9-11H2,1-2H3;1H
InChIKeyBMICBGIYUZTHGT-UHFFFAOYSA-N
MW376.89 g/mol
LogP1.84
Rot. Bonds8

About 2-[3,5-dimethyl-4-[[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-1-yl]ethanol;hydrochloride

2-[3,5-dimethyl-4-[[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-1-yl]ethanol;hydrochloride (PubChem CID 47615212) has the molecular formula C18H25ClN6O and a molecular weight of 376.89 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-1-yl]ethanol;hydrochloride
PubChem CID47615212
Molecular FormulaC18H25ClN6O
Molecular Weight376.89 g/mol
Exact Mass376.18
IUPAC Name2-[3,5-dimethyl-4-[[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-1-yl]ethanol;hydrochloride
SMILESCc1nn(CCO)c(C)c1CNCc1cccc(Cn2cncn2)c1.Cl
InChIInChI=1S/C18H24N6O.ClH/c1-14-18(15(2)24(22-14)6-7-25)10-19-9-16-4-3-5-17(8-16)11-23-13-20-12-21-23;/h3-5,8,12-13,19,25H,6-7,9-11H2,1-2H3;1H
InChIKeyBMICBGIYUZTHGT-UHFFFAOYSA-N
XLogP1.84
TPSA80.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3,5-dimethyl-4-[[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-1-yl]ethanol;hydrochloride with MolForge

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Related Compounds

2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905557
2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62446622
2-[4-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905682
2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol
CID 110905525
N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62446621
2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 110905622
2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 47615988
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 51105192
2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110007090
2-[4-[(2-bromoprop-2-enylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol;hydrochloride
CID 115614732
1-[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]methanamine
CID 136713497
2-[3,5-dimethyl-4-[[(6-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 110905729

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[3,5-dimethyl-4-[[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-1-yl]ethanol;hydrochloride (CID 47615212) is 2-[3,5-dimethyl-4-[[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[3,5-dimethyl-4-[[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[3,5-dimethyl-4-[[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-1-yl]ethanol;hydrochloride is Cc1nn(CCO)c(C)c1CNCc1cccc(Cn2cncn2)c1.Cl.
What is the InChIKey of 2-[3,5-dimethyl-4-[[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-1-yl]ethanol;hydrochloride?
The InChIKey is BMICBGIYUZTHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O.ClH/c1-14-18(15(2)24(22-14)6-7-25)10-19-9-16-4-3-5-17(8-16)11-23-13-20-12-21-23;/h3-5,8,12-13,19,25H,6-7,9-11H2,1-2H3;1H.
What are the key properties of 2-[3,5-dimethyl-4-[[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-1-yl]ethanol;hydrochloride?
2-[3,5-dimethyl-4-[[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-1-yl]ethanol;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 47615212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).