(4,5-diamino-2-propan-2-ylpyrazol-3-yl)methanol

C7H14N4O — CID 23298683

IUPAC(4,5-diamino-2-propan-2-ylpyrazol-3-yl)methanol
SMILESCC(C)n1nc(N)c(N)c1CO
InChIInChI=1S/C7H14N4O/c1-4(2)11-5(3-12)6(8)7(9)10-11/h4,12H,3,8H2,1-2H3,(H2,9,10)
InChIKeyLHRAHHGCQRJYCE-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.12
Rot. Bonds2

About (4,5-diamino-2-propan-2-ylpyrazol-3-yl)methanol

(4,5-diamino-2-propan-2-ylpyrazol-3-yl)methanol (PubChem CID 23298683) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is (4,5-diamino-2-propan-2-ylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4,5-diamino-2-propan-2-ylpyrazol-3-yl)methanol
PubChem CID23298683
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name(4,5-diamino-2-propan-2-ylpyrazol-3-yl)methanol
SMILESCC(C)n1nc(N)c(N)c1CO
InChIInChI=1S/C7H14N4O/c1-4(2)11-5(3-12)6(8)7(9)10-11/h4,12H,3,8H2,1-2H3,(H2,9,10)
InChIKeyLHRAHHGCQRJYCE-UHFFFAOYSA-N
XLogP0.12
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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(4,5-Diamino-2-methylpyrazol-3-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of (4,5-diamino-2-propan-2-ylpyrazol-3-yl)methanol?
The IUPAC name of (4,5-diamino-2-propan-2-ylpyrazol-3-yl)methanol (CID 23298683) is (4,5-diamino-2-propan-2-ylpyrazol-3-yl)methanol.
What is the SMILES notation for (4,5-diamino-2-propan-2-ylpyrazol-3-yl)methanol?
The canonical SMILES for (4,5-diamino-2-propan-2-ylpyrazol-3-yl)methanol is CC(C)n1nc(N)c(N)c1CO.
What is the InChIKey of (4,5-diamino-2-propan-2-ylpyrazol-3-yl)methanol?
The InChIKey is LHRAHHGCQRJYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-4(2)11-5(3-12)6(8)7(9)10-11/h4,12H,3,8H2,1-2H3,(H2,9,10).
What are the key properties of (4,5-diamino-2-propan-2-ylpyrazol-3-yl)methanol?
(4,5-diamino-2-propan-2-ylpyrazol-3-yl)methanol has a molecular weight of 170.22 g/mol, XLogP of 0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diamino-2-propan-2-ylpyrazol-3-yl)methanol is sourced from PubChem (CID 23298683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).