1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol

C8H16N4O2 — CID 58980398

IUPAC1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol
SMILESCCC(O)C(O)Cn1ncc(N)c1N
InChIInChI=1S/C8H16N4O2/c1-2-6(13)7(14)4-12-8(10)5(9)3-11-12/h3,6-7,13-14H,2,4,9-10H2,1H3
InChIKeyJVRQVAPPXFMUSD-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.82
Rot. Bonds4

About 1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol

1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol (PubChem CID 58980398) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol.

Molecular Properties

Compound Name1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol
PubChem CID58980398
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol
SMILESCCC(O)C(O)Cn1ncc(N)c1N
InChIInChI=1S/C8H16N4O2/c1-2-6(13)7(14)4-12-8(10)5(9)3-11-12/h3,6-7,13-14H,2,4,9-10H2,1H3
InChIKeyJVRQVAPPXFMUSD-UHFFFAOYSA-N
XLogP-0.82
TPSA110.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,5-diaminopyrazol-1-yl)hexan-2-ol
CID 58980428
1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine
CID 22227389
4-methyl-1-(2-methylbutyl)pyrazol-5-amine
CID 43312420
4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol
CID 58999995
1-(2-aminoprop-2-enyl)pyrazole-4,5-diamine
CID 21018096
1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol
CID 59000041
1-(3-methoxybutyl)pyrazole-4,5-diamine
CID 58913917
1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol
CID 59000070
3-(4,5-diaminopyrazol-1-yl)-3-methylbutan-2-ol
CID 58980370
1-(1-aminobutyl)pyrazole-4,5-diamine
CID 69439653
1-(3-aminopropyl)pyrazole-4,5-diamine
CID 22227390
1-prop-2-enylpyrazole-4,5-diamine
CID 67655592

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol?
The IUPAC name of 1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol (CID 58980398) is 1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol.
What is the SMILES notation for 1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol?
The canonical SMILES for 1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol is CCC(O)C(O)Cn1ncc(N)c1N.
What is the InChIKey of 1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol?
The InChIKey is JVRQVAPPXFMUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-2-6(13)7(14)4-12-8(10)5(9)3-11-12/h3,6-7,13-14H,2,4,9-10H2,1H3.
What are the key properties of 1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol?
1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol has a molecular weight of 200.24 g/mol, XLogP of -0.82, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol is sourced from PubChem (CID 58980398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).