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

C14H27N3O — CID 24798929

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-[di(propan-2-yl)amino]propan-2-ol
SMILESCc1cc(C)n(CC(O)CN(C(C)C)C(C)C)n1
InChIInChI=1S/C14H27N3O/c1-10(2)16(11(3)4)8-14(18)9-17-13(6)7-12(5)15-17/h7,10-11,14,18H,8-9H2,1-6H3
InChIKeyPHZNXDGOAOMMMH-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.98
Rot. Bonds6

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

1-(3,5-dimethylpyrazol-1-yl)-3-[di(propan-2-yl)amino]propan-2-ol (PubChem CID 24798929) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-[di(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-[di(propan-2-yl)amino]propan-2-ol
PubChem CID24798929
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-[di(propan-2-yl)amino]propan-2-ol
SMILESCc1cc(C)n(CC(O)CN(C(C)C)C(C)C)n1
InChIInChI=1S/C14H27N3O/c1-10(2)16(11(3)4)8-14(18)9-17-13(6)7-12(5)15-17/h7,10-11,14,18H,8-9H2,1-6H3
InChIKeyPHZNXDGOAOMMMH-UHFFFAOYSA-N
XLogP1.98
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethylpyrazol-1-yl)-3-[di(propan-2-yl)amino]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-(3,5-dimethylpyrazol-1-yl)-3-[di(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-[di(propan-2-yl)amino]propan-2-ol (CID 24798929) is 1-(3,5-dimethylpyrazol-1-yl)-3-[di(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-[di(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-[di(propan-2-yl)amino]propan-2-ol is Cc1cc(C)n(CC(O)CN(C(C)C)C(C)C)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-[di(propan-2-yl)amino]propan-2-ol?
The InChIKey is PHZNXDGOAOMMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10(2)16(11(3)4)8-14(18)9-17-13(6)7-12(5)15-17/h7,10-11,14,18H,8-9H2,1-6H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-[di(propan-2-yl)amino]propan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)-3-[di(propan-2-yl)amino]propan-2-ol has a molecular weight of 253.39 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-3-[di(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 24798929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).