(4,5-diamino-1-tert-butylpyrazol-3-yl)methanol

C8H16N4O — CID 23496367

IUPAC(4,5-diamino-1-tert-butylpyrazol-3-yl)methanol
SMILESCC(C)(C)n1nc(CO)c(N)c1N
InChIInChI=1S/C8H16N4O/c1-8(2,3)12-7(10)6(9)5(4-13)11-12/h13H,4,9-10H2,1-3H3
InChIKeyUBJHAVNITJYHMB-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.29
Rot. Bonds1

About (4,5-diamino-1-tert-butylpyrazol-3-yl)methanol

(4,5-diamino-1-tert-butylpyrazol-3-yl)methanol (PubChem CID 23496367) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is (4,5-diamino-1-tert-butylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4,5-diamino-1-tert-butylpyrazol-3-yl)methanol
PubChem CID23496367
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name(4,5-diamino-1-tert-butylpyrazol-3-yl)methanol
SMILESCC(C)(C)n1nc(CO)c(N)c1N
InChIInChI=1S/C8H16N4O/c1-8(2,3)12-7(10)6(9)5(4-13)11-12/h13H,4,9-10H2,1-3H3
InChIKeyUBJHAVNITJYHMB-UHFFFAOYSA-N
XLogP0.29
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,5-diamino-1-tert-butylpyrazol-3-yl)methanol?
The IUPAC name of (4,5-diamino-1-tert-butylpyrazol-3-yl)methanol (CID 23496367) is (4,5-diamino-1-tert-butylpyrazol-3-yl)methanol.
What is the SMILES notation for (4,5-diamino-1-tert-butylpyrazol-3-yl)methanol?
The canonical SMILES for (4,5-diamino-1-tert-butylpyrazol-3-yl)methanol is CC(C)(C)n1nc(CO)c(N)c1N.
What is the InChIKey of (4,5-diamino-1-tert-butylpyrazol-3-yl)methanol?
The InChIKey is UBJHAVNITJYHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-8(2,3)12-7(10)6(9)5(4-13)11-12/h13H,4,9-10H2,1-3H3.
What are the key properties of (4,5-diamino-1-tert-butylpyrazol-3-yl)methanol?
(4,5-diamino-1-tert-butylpyrazol-3-yl)methanol has a molecular weight of 184.24 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diamino-1-tert-butylpyrazol-3-yl)methanol is sourced from PubChem (CID 23496367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).