1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol

C8H15N3O — CID 69281505

IUPAC1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol
SMILESCc1c(N)cnn1CC(C)(C)O
InChIInChI=1S/C8H15N3O/c1-6-7(9)4-10-11(6)5-8(2,3)12/h4,12H,5,9H2,1-3H3
InChIKeyXWZSKRHHQVCOPZ-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.54
Rot. Bonds2

About 1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol

1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol (PubChem CID 69281505) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol
PubChem CID69281505
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol
SMILESCc1c(N)cnn1CC(C)(C)O
InChIInChI=1S/C8H15N3O/c1-6-7(9)4-10-11(6)5-8(2,3)12/h4,12H,5,9H2,1-3H3
InChIKeyXWZSKRHHQVCOPZ-UHFFFAOYSA-N
XLogP0.54
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol (CID 69281505) is 1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol is Cc1c(N)cnn1CC(C)(C)O.
What is the InChIKey of 1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol?
The InChIKey is XWZSKRHHQVCOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-7(9)4-10-11(6)5-8(2,3)12/h4,12H,5,9H2,1-3H3.
What are the key properties of 1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol?
1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol has a molecular weight of 169.23 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 69281505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).