1-(dimethylamino)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propan-2-ol

C11H22N4O — CID 115671204

IUPAC1-(dimethylamino)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
SMILESCc1n[nH]c(C)c1CNCC(O)CN(C)C
InChIInChI=1S/C11H22N4O/c1-8-11(9(2)14-13-8)6-12-5-10(16)7-15(3)4/h10,12,16H,5-7H2,1-4H3,(H,13,14)
InChIKeyFYXUXUKFBMHNGE-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.04
Rot. Bonds6

About 1-(dimethylamino)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propan-2-ol

1-(dimethylamino)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 115671204) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
PubChem CID115671204
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name1-(dimethylamino)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
SMILESCc1n[nH]c(C)c1CNCC(O)CN(C)C
InChIInChI=1S/C11H22N4O/c1-8-11(9(2)14-13-8)6-12-5-10(16)7-15(3)4/h10,12,16H,5-7H2,1-4H3,(H,13,14)
InChIKeyFYXUXUKFBMHNGE-UHFFFAOYSA-N
XLogP0.04
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(dimethylamino)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propan-2-ol (CID 115671204) is 1-(dimethylamino)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propan-2-ol is Cc1n[nH]c(C)c1CNCC(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is FYXUXUKFBMHNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-8-11(9(2)14-13-8)6-12-5-10(16)7-15(3)4/h10,12,16H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 1-(dimethylamino)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
1-(dimethylamino)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 115671204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).