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

C9H18N4O — CID 104551141

IUPAC2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol
SMILESCc1nn(C)c(N(C)C(C)CO)c1N
InChIInChI=1S/C9H18N4O/c1-6(5-14)12(3)9-8(10)7(2)11-13(9)4/h6,14H,5,10H2,1-4H3
InChIKeyVLMSSUTUIBHTFB-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.13
Rot. Bonds3

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

2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol (PubChem CID 104551141) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol
PubChem CID104551141
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol
SMILESCc1nn(C)c(N(C)C(C)CO)c1N
InChIInChI=1S/C9H18N4O/c1-6(5-14)12(3)9-8(10)7(2)11-13(9)4/h6,14H,5,10H2,1-4H3
InChIKeyVLMSSUTUIBHTFB-UHFFFAOYSA-N
XLogP0.13
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol (CID 104551141) is 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol is Cc1nn(C)c(N(C)C(C)CO)c1N.
What is the InChIKey of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol?
The InChIKey is VLMSSUTUIBHTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-6(5-14)12(3)9-8(10)7(2)11-13(9)4/h6,14H,5,10H2,1-4H3.
What are the key properties of 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol?
2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol has a molecular weight of 198.27 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol is sourced from PubChem (CID 104551141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).