3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol

C12H23N3O — CID 66092719

IUPAC3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
SMILESCc1nn(C)c(C)c1CNCC(C)CCO
InChIInChI=1S/C12H23N3O/c1-9(5-6-16)7-13-8-12-10(2)14-15(4)11(12)3/h9,13,16H,5-8H2,1-4H3
InChIKeyHZJNJWYKAAGRNW-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.15
Rot. Bonds6

About 3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol

3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol (PubChem CID 66092719) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
PubChem CID66092719
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
SMILESCc1nn(C)c(C)c1CNCC(C)CCO
InChIInChI=1S/C12H23N3O/c1-9(5-6-16)7-13-8-12-10(2)14-15(4)11(12)3/h9,13,16H,5-8H2,1-4H3
InChIKeyHZJNJWYKAAGRNW-UHFFFAOYSA-N
XLogP1.15
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol
CID 111422037
N-(4-hydroxy-2-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 66106247
2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 78958688
N-(4-hydroxy-2-methylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 66106470
2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 79236503
3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 60595894
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 79254884
2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol
CID 111449402
4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 111469653
3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 115614299
1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol
CID 112727185
N'-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 113410291

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of 3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol (CID 66092719) is 3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol is Cc1nn(C)c(C)c1CNCC(C)CCO.
What is the InChIKey of 3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
The InChIKey is HZJNJWYKAAGRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(5-6-16)7-13-8-12-10(2)14-15(4)11(12)3/h9,13,16H,5-8H2,1-4H3.
What are the key properties of 3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 66092719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).