3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride

C12H24ClN3O — CID 115614299

IUPAC3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride
SMILESCCn1nc(C)c(CNCC(C)CO)c1C.Cl
InChIInChI=1S/C12H23N3O.ClH/c1-5-15-11(4)12(10(3)14-15)7-13-6-9(2)8-16;/h9,13,16H,5-8H2,1-4H3;1H
InChIKeyJQPKFNZNTTVCEJ-UHFFFAOYSA-N
MW261.80 g/mol
LogP1.66
Rot. Bonds6

About 3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride

3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride (PubChem CID 115614299) has the molecular formula C12H24ClN3O and a molecular weight of 261.80 g/mol. Its IUPAC name is 3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride
PubChem CID115614299
Molecular FormulaC12H24ClN3O
Molecular Weight261.80 g/mol
Exact Mass261.16
IUPAC Name3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride
SMILESCCn1nc(C)c(CNCC(C)CO)c1C.Cl
InChIInChI=1S/C12H23N3O.ClH/c1-5-15-11(4)12(10(3)14-15)7-13-6-9(2)8-16;/h9,13,16H,5-8H2,1-4H3;1H
InChIKeyJQPKFNZNTTVCEJ-UHFFFAOYSA-N
XLogP1.66
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol;hydrochloride
CID 115614115
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696
2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122127650
1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 111427348
5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol
CID 111467961
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 7022224
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 129322576
3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 66092719
N-[[3,5-dimethyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66040224
N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 19621007
N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79185975
ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate
CID 66400895

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride?
The IUPAC name of 3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride (CID 115614299) is 3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride.
What is the SMILES notation for 3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride?
The canonical SMILES for 3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride is CCn1nc(C)c(CNCC(C)CO)c1C.Cl.
What is the InChIKey of 3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride?
The InChIKey is JQPKFNZNTTVCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.ClH/c1-5-15-11(4)12(10(3)14-15)7-13-6-9(2)8-16;/h9,13,16H,5-8H2,1-4H3;1H.
What are the key properties of 3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride?
3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride has a molecular weight of 261.80 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride is sourced from PubChem (CID 115614299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).