2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol

C10H19N3O — CID 115665641

IUPAC2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
SMILESCC(CO)CN(C)Cc1cnn(C)c1
InChIInChI=1S/C10H19N3O/c1-9(8-14)5-12(2)6-10-4-11-13(3)7-10/h4,7,9,14H,5-6,8H2,1-3H3
InChIKeyXFOZKMMZPGEEBV-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.48
Rot. Bonds5

About 2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol

2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol (PubChem CID 115665641) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
PubChem CID115665641
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
SMILESCC(CO)CN(C)Cc1cnn(C)c1
InChIInChI=1S/C10H19N3O/c1-9(8-14)5-12(2)6-10-4-11-13(3)7-10/h4,7,9,14H,5-6,8H2,1-3H3
InChIKeyXFOZKMMZPGEEBV-UHFFFAOYSA-N
XLogP0.48
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 104752674
3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 66452397
4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol
CID 62625333
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61442014
1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 60981581
1-(4-ethylphenyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438554
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
1-(3-aminophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 55055591
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine
CID 61441963
1-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 104554967
N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
CID 75402177

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol?
The IUPAC name of 2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol (CID 115665641) is 2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol is CC(CO)CN(C)Cc1cnn(C)c1.
What is the InChIKey of 2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol?
The InChIKey is XFOZKMMZPGEEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(8-14)5-12(2)6-10-4-11-13(3)7-10/h4,7,9,14H,5-6,8H2,1-3H3.
What are the key properties of 2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol?
2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 115665641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).