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

C14H19N3O — CID 71015486

IUPAC2-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methylpropan-1-ol
SMILESCc1c(C(C)(C)CO)nn(-c2ccccc2)c1N
InChIInChI=1S/C14H19N3O/c1-10-12(14(2,3)9-18)16-17(13(10)15)11-7-5-4-6-8-11/h4-8,18H,9,15H2,1-3H3
InChIKeyJNLPXBIXTXYYJT-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.03
Rot. Bonds3

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

2-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methylpropan-1-ol (PubChem CID 71015486) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methylpropan-1-ol
PubChem CID71015486
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methylpropan-1-ol
SMILESCc1c(C(C)(C)CO)nn(-c2ccccc2)c1N
InChIInChI=1S/C14H19N3O/c1-10-12(14(2,3)9-18)16-17(13(10)15)11-7-5-4-6-8-11/h4-8,18H,9,15H2,1-3H3
InChIKeyJNLPXBIXTXYYJT-UHFFFAOYSA-N
XLogP2.03
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methylpropan-1-ol (CID 71015486) is 2-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methylpropan-1-ol is Cc1c(C(C)(C)CO)nn(-c2ccccc2)c1N.
What is the InChIKey of 2-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methylpropan-1-ol?
The InChIKey is JNLPXBIXTXYYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-12(14(2,3)9-18)16-17(13(10)15)11-7-5-4-6-8-11/h4-8,18H,9,15H2,1-3H3.
What are the key properties of 2-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methylpropan-1-ol?
2-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methylpropan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 71015486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).