2-(aminomethyl)-2-(4-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol

C17H25N3O — CID 106508554

IUPAC2-(aminomethyl)-2-(4-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol
SMILESCc1ccc(C(CN)(CO)Cc2ccn(C(C)C)n2)cc1
InChIInChI=1S/C17H25N3O/c1-13(2)20-9-8-16(19-20)10-17(11-18,12-21)15-6-4-14(3)5-7-15/h4-9,13,21H,10-12,18H2,1-3H3
InChIKeyBTFGALYQBYSYSL-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.20
Rot. Bonds6

About 2-(aminomethyl)-2-(4-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol

2-(aminomethyl)-2-(4-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol (PubChem CID 106508554) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(4-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(4-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol
PubChem CID106508554
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(aminomethyl)-2-(4-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol
SMILESCc1ccc(C(CN)(CO)Cc2ccn(C(C)C)n2)cc1
InChIInChI=1S/C17H25N3O/c1-13(2)20-9-8-16(19-20)10-17(11-18,12-21)15-6-4-14(3)5-7-15/h4-9,13,21H,10-12,18H2,1-3H3
InChIKeyBTFGALYQBYSYSL-UHFFFAOYSA-N
XLogP2.20
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(4-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(4-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol (CID 106508554) is 2-(aminomethyl)-2-(4-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(4-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(4-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol is Cc1ccc(C(CN)(CO)Cc2ccn(C(C)C)n2)cc1.
What is the InChIKey of 2-(aminomethyl)-2-(4-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol?
The InChIKey is BTFGALYQBYSYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)20-9-8-16(19-20)10-17(11-18,12-21)15-6-4-14(3)5-7-15/h4-9,13,21H,10-12,18H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-(4-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol?
2-(aminomethyl)-2-(4-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol has a molecular weight of 287.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(4-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 106508554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).