3-(4,5-diaminopyrazol-1-yl)-3-methylbutan-2-ol

C8H16N4O — CID 58980370

IUPAC3-(4,5-diaminopyrazol-1-yl)-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)n1ncc(N)c1N
InChIInChI=1S/C8H16N4O/c1-5(13)8(2,3)12-7(10)6(9)4-11-12/h4-5,13H,9-10H2,1-3H3
InChIKeyPEXVSEOQYBRPDQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.16
Rot. Bonds2

About 3-(4,5-diaminopyrazol-1-yl)-3-methylbutan-2-ol

3-(4,5-diaminopyrazol-1-yl)-3-methylbutan-2-ol (PubChem CID 58980370) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(4,5-diaminopyrazol-1-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-(4,5-diaminopyrazol-1-yl)-3-methylbutan-2-ol
PubChem CID58980370
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name3-(4,5-diaminopyrazol-1-yl)-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)n1ncc(N)c1N
InChIInChI=1S/C8H16N4O/c1-5(13)8(2,3)12-7(10)6(9)4-11-12/h4-5,13H,9-10H2,1-3H3
InChIKeyPEXVSEOQYBRPDQ-UHFFFAOYSA-N
XLogP0.16
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diaminopyrazol-1-yl)-3-methylbutan-2-ol?
The IUPAC name of 3-(4,5-diaminopyrazol-1-yl)-3-methylbutan-2-ol (CID 58980370) is 3-(4,5-diaminopyrazol-1-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 3-(4,5-diaminopyrazol-1-yl)-3-methylbutan-2-ol?
The canonical SMILES for 3-(4,5-diaminopyrazol-1-yl)-3-methylbutan-2-ol is CC(O)C(C)(C)n1ncc(N)c1N.
What is the InChIKey of 3-(4,5-diaminopyrazol-1-yl)-3-methylbutan-2-ol?
The InChIKey is PEXVSEOQYBRPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-5(13)8(2,3)12-7(10)6(9)4-11-12/h4-5,13H,9-10H2,1-3H3.
What are the key properties of 3-(4,5-diaminopyrazol-1-yl)-3-methylbutan-2-ol?
3-(4,5-diaminopyrazol-1-yl)-3-methylbutan-2-ol has a molecular weight of 184.24 g/mol, XLogP of 0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diaminopyrazol-1-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 58980370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).