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

C8H17Cl2N3O — CID 138040701

IUPAC1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;dihydrochloride
SMILESCc1c(N)cnn1CC(C)(C)O.Cl.Cl
InChIInChI=1S/C8H15N3O.2ClH/c1-6-7(9)4-10-11(6)5-8(2,3)12;;/h4,12H,5,9H2,1-3H3;2*1H
InChIKeyABFAHNJZKZRPJY-UHFFFAOYSA-N
MW242.15 g/mol
LogP1.39
Rot. Bonds2

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

1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;dihydrochloride (PubChem CID 138040701) has the molecular formula C8H17Cl2N3O and a molecular weight of 242.15 g/mol. Its IUPAC name is 1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;dihydrochloride
PubChem CID138040701
Molecular FormulaC8H17Cl2N3O
Molecular Weight242.15 g/mol
Exact Mass241.07
IUPAC Name1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;dihydrochloride
SMILESCc1c(N)cnn1CC(C)(C)O.Cl.Cl
InChIInChI=1S/C8H15N3O.2ClH/c1-6-7(9)4-10-11(6)5-8(2,3)12;;/h4,12H,5,9H2,1-3H3;2*1H
InChIKeyABFAHNJZKZRPJY-UHFFFAOYSA-N
XLogP1.39
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 51.39
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;dihydrochloride?
The IUPAC name of 1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;dihydrochloride (CID 138040701) is 1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;dihydrochloride?
The canonical SMILES for 1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;dihydrochloride is Cc1c(N)cnn1CC(C)(C)O.Cl.Cl.
What is the InChIKey of 1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;dihydrochloride?
The InChIKey is ABFAHNJZKZRPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.2ClH/c1-6-7(9)4-10-11(6)5-8(2,3)12;;/h4,12H,5,9H2,1-3H3;2*1H.
What are the key properties of 1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;dihydrochloride?
1-(4-amino-5-methylpyrazol-1-yl)-2-methylpropan-2-ol;dihydrochloride has a molecular weight of 242.15 g/mol, XLogP of 1.39, 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;dihydrochloride is sourced from PubChem (CID 138040701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).