3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol

C11H20ClN3O — CID 115666454

IUPAC3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C11H20ClN3O/c1-4-15(6-5-7-16)8-10-9(2)13-14(3)11(10)12/h16H,4-8H2,1-3H3
InChIKeyHVOCNUOZYMYEJQ-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.59
Rot. Bonds6

About 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol

3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol (PubChem CID 115666454) has the molecular formula C11H20ClN3O and a molecular weight of 245.75 g/mol. Its IUPAC name is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol
PubChem CID115666454
Molecular FormulaC11H20ClN3O
Molecular Weight245.75 g/mol
Exact Mass245.13
IUPAC Name3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C11H20ClN3O/c1-4-15(6-5-7-16)8-10-9(2)13-14(3)11(10)12/h16H,4-8H2,1-3H3
InChIKeyHVOCNUOZYMYEJQ-UHFFFAOYSA-N
XLogP1.59
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol?
The IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol (CID 115666454) is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol.
What is the SMILES notation for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol?
The canonical SMILES for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol is CCN(CCCO)Cc1c(C)nn(C)c1Cl.
What is the InChIKey of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol?
The InChIKey is HVOCNUOZYMYEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O/c1-4-15(6-5-7-16)8-10-9(2)13-14(3)11(10)12/h16H,4-8H2,1-3H3.
What are the key properties of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol?
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol has a molecular weight of 245.75 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol is sourced from PubChem (CID 115666454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).