1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-2-methylpropan-2-ol

C14H19N3O2 — CID 71041362

IUPAC1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-2-methylpropan-2-ol
SMILESCc1c(OCC(C)(C)O)nn(-c2ccccc2)c1N
InChIInChI=1S/C14H19N3O2/c1-10-12(15)17(11-7-5-4-6-8-11)16-13(10)19-9-14(2,3)18/h4-8,18H,9,15H2,1-3H3
InChIKeyCAHPXLZWHPWXEP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.91
Rot. Bonds4

About 1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-2-methylpropan-2-ol

1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-2-methylpropan-2-ol (PubChem CID 71041362) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-2-methylpropan-2-ol
PubChem CID71041362
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-2-methylpropan-2-ol
SMILESCc1c(OCC(C)(C)O)nn(-c2ccccc2)c1N
InChIInChI=1S/C14H19N3O2/c1-10-12(15)17(11-7-5-4-6-8-11)16-13(10)19-9-14(2,3)18/h4-8,18H,9,15H2,1-3H3
InChIKeyCAHPXLZWHPWXEP-UHFFFAOYSA-N
XLogP1.91
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-2-methylpropan-2-ol?
The IUPAC name of 1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-2-methylpropan-2-ol (CID 71041362) is 1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-2-methylpropan-2-ol is Cc1c(OCC(C)(C)O)nn(-c2ccccc2)c1N.
What is the InChIKey of 1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-2-methylpropan-2-ol?
The InChIKey is CAHPXLZWHPWXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-12(15)17(11-7-5-4-6-8-11)16-13(10)19-9-14(2,3)18/h4-8,18H,9,15H2,1-3H3.
What are the key properties of 1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-2-methylpropan-2-ol?
1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-2-methylpropan-2-ol has a molecular weight of 261.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-2-methylpropan-2-ol is sourced from PubChem (CID 71041362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).