1-(4,5-diaminopyrazol-1-yl)hexan-2-ol

C9H18N4O — CID 58980428

IUPAC1-(4,5-diaminopyrazol-1-yl)hexan-2-ol
SMILESCCCCC(O)Cn1ncc(N)c1N
InChIInChI=1S/C9H18N4O/c1-2-3-4-7(14)6-13-9(11)8(10)5-12-13/h5,7,14H,2-4,6,10-11H2,1H3
InChIKeyHZCVRXGTVNXYTH-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.60
Rot. Bonds5

About 1-(4,5-diaminopyrazol-1-yl)hexan-2-ol

1-(4,5-diaminopyrazol-1-yl)hexan-2-ol (PubChem CID 58980428) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(4,5-diaminopyrazol-1-yl)hexan-2-ol.

Molecular Properties

Compound Name1-(4,5-diaminopyrazol-1-yl)hexan-2-ol
PubChem CID58980428
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1-(4,5-diaminopyrazol-1-yl)hexan-2-ol
SMILESCCCCC(O)Cn1ncc(N)c1N
InChIInChI=1S/C9H18N4O/c1-2-3-4-7(14)6-13-9(11)8(10)5-12-13/h5,7,14H,2-4,6,10-11H2,1H3
InChIKeyHZCVRXGTVNXYTH-UHFFFAOYSA-N
XLogP0.60
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diaminopyrazol-1-yl)hexan-2-ol?
The IUPAC name of 1-(4,5-diaminopyrazol-1-yl)hexan-2-ol (CID 58980428) is 1-(4,5-diaminopyrazol-1-yl)hexan-2-ol.
What is the SMILES notation for 1-(4,5-diaminopyrazol-1-yl)hexan-2-ol?
The canonical SMILES for 1-(4,5-diaminopyrazol-1-yl)hexan-2-ol is CCCCC(O)Cn1ncc(N)c1N.
What is the InChIKey of 1-(4,5-diaminopyrazol-1-yl)hexan-2-ol?
The InChIKey is HZCVRXGTVNXYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-2-3-4-7(14)6-13-9(11)8(10)5-12-13/h5,7,14H,2-4,6,10-11H2,1H3.
What are the key properties of 1-(4,5-diaminopyrazol-1-yl)hexan-2-ol?
1-(4,5-diaminopyrazol-1-yl)hexan-2-ol has a molecular weight of 198.27 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diaminopyrazol-1-yl)hexan-2-ol is sourced from PubChem (CID 58980428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).