2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol

C10H19N3O2 — CID 104552650

IUPAC2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol
SMILESCc1nn(C)c(N(C)C(C)CO)c1CO
InChIInChI=1S/C10H19N3O2/c1-7(5-14)12(3)10-9(6-15)8(2)11-13(10)4/h7,14-15H,5-6H2,1-4H3
InChIKeyIYAYXNHXYZSTBF-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.04
Rot. Bonds4

About 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol

2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol (PubChem CID 104552650) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol
PubChem CID104552650
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol
SMILESCc1nn(C)c(N(C)C(C)CO)c1CO
InChIInChI=1S/C10H19N3O2/c1-7(5-14)12(3)10-9(6-15)8(2)11-13(10)4/h7,14-15H,5-6H2,1-4H3
InChIKeyIYAYXNHXYZSTBF-UHFFFAOYSA-N
XLogP0.04
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol
CID 104551141
[5-(diethylamino)-1,3-dimethylpyrazol-4-yl]methanol
CID 28963363
[5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol
CID 61449265
4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine
CID 107080060
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60961185
2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol
CID 60981461
4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine
CID 107079390
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine
CID 63058622
[1,3-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol
CID 60890248
4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine
CID 55237561
3-[[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]butanenitrile
CID 63223522
N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43281943

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol (CID 104552650) is 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol is Cc1nn(C)c(N(C)C(C)CO)c1CO.
What is the InChIKey of 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol?
The InChIKey is IYAYXNHXYZSTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7(5-14)12(3)10-9(6-15)8(2)11-13(10)4/h7,14-15H,5-6H2,1-4H3.
What are the key properties of 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol?
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol has a molecular weight of 213.28 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 104552650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).