3-amino-5-methyl-2-pyrazol-1-ylhexan-1-ol

C10H19N3O — CID 114357650

IUPAC3-amino-5-methyl-2-pyrazol-1-ylhexan-1-ol
SMILESCC(C)CC(N)C(CO)n1cccn1
InChIInChI=1S/C10H19N3O/c1-8(2)6-9(11)10(7-14)13-5-3-4-12-13/h3-5,8-10,14H,6-7,11H2,1-2H3
InChIKeyZEPQIEGNYZBQIE-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.79
Rot. Bonds5

About 3-amino-5-methyl-2-pyrazol-1-ylhexan-1-ol

3-amino-5-methyl-2-pyrazol-1-ylhexan-1-ol (PubChem CID 114357650) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-amino-5-methyl-2-pyrazol-1-ylhexan-1-ol.

Molecular Properties

Compound Name3-amino-5-methyl-2-pyrazol-1-ylhexan-1-ol
PubChem CID114357650
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-amino-5-methyl-2-pyrazol-1-ylhexan-1-ol
SMILESCC(C)CC(N)C(CO)n1cccn1
InChIInChI=1S/C10H19N3O/c1-8(2)6-9(11)10(7-14)13-5-3-4-12-13/h3-5,8-10,14H,6-7,11H2,1-2H3
InChIKeyZEPQIEGNYZBQIE-UHFFFAOYSA-N
XLogP0.79
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-methyl-2-pyrazol-1-ylhexan-1-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 3-amino-5-methyl-2-pyrazol-1-ylhexan-1-ol?
The IUPAC name of 3-amino-5-methyl-2-pyrazol-1-ylhexan-1-ol (CID 114357650) is 3-amino-5-methyl-2-pyrazol-1-ylhexan-1-ol.
What is the SMILES notation for 3-amino-5-methyl-2-pyrazol-1-ylhexan-1-ol?
The canonical SMILES for 3-amino-5-methyl-2-pyrazol-1-ylhexan-1-ol is CC(C)CC(N)C(CO)n1cccn1.
What is the InChIKey of 3-amino-5-methyl-2-pyrazol-1-ylhexan-1-ol?
The InChIKey is ZEPQIEGNYZBQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)6-9(11)10(7-14)13-5-3-4-12-13/h3-5,8-10,14H,6-7,11H2,1-2H3.
What are the key properties of 3-amino-5-methyl-2-pyrazol-1-ylhexan-1-ol?
3-amino-5-methyl-2-pyrazol-1-ylhexan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-2-pyrazol-1-ylhexan-1-ol is sourced from PubChem (CID 114357650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).