2-[1-[2-(aminomethyl)phenyl]-5-propylpyrazol-3-yl]propan-2-ol

C16H23N3O — CID 175948495

IUPAC2-[1-[2-(aminomethyl)phenyl]-5-propylpyrazol-3-yl]propan-2-ol
SMILESCCCc1cc(C(C)(C)O)nn1-c1ccccc1CN
InChIInChI=1S/C16H23N3O/c1-4-7-13-10-15(16(2,3)20)18-19(13)14-9-6-5-8-12(14)11-17/h5-6,8-10,20H,4,7,11,17H2,1-3H3
InChIKeyWTEQBJFBJMUQMU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.51
Rot. Bonds5

About 2-[1-[2-(aminomethyl)phenyl]-5-propylpyrazol-3-yl]propan-2-ol

2-[1-[2-(aminomethyl)phenyl]-5-propylpyrazol-3-yl]propan-2-ol (PubChem CID 175948495) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[1-[2-(aminomethyl)phenyl]-5-propylpyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[2-(aminomethyl)phenyl]-5-propylpyrazol-3-yl]propan-2-ol
PubChem CID175948495
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[1-[2-(aminomethyl)phenyl]-5-propylpyrazol-3-yl]propan-2-ol
SMILESCCCc1cc(C(C)(C)O)nn1-c1ccccc1CN
InChIInChI=1S/C16H23N3O/c1-4-7-13-10-15(16(2,3)20)18-19(13)14-9-6-5-8-12(14)11-17/h5-6,8-10,20H,4,7,11,17H2,1-3H3
InChIKeyWTEQBJFBJMUQMU-UHFFFAOYSA-N
XLogP2.51
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(aminomethyl)phenyl]-5-propylpyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[1-[2-(aminomethyl)phenyl]-5-propylpyrazol-3-yl]propan-2-ol (CID 175948495) is 2-[1-[2-(aminomethyl)phenyl]-5-propylpyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[2-(aminomethyl)phenyl]-5-propylpyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-[2-(aminomethyl)phenyl]-5-propylpyrazol-3-yl]propan-2-ol is CCCc1cc(C(C)(C)O)nn1-c1ccccc1CN.
What is the InChIKey of 2-[1-[2-(aminomethyl)phenyl]-5-propylpyrazol-3-yl]propan-2-ol?
The InChIKey is WTEQBJFBJMUQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-7-13-10-15(16(2,3)20)18-19(13)14-9-6-5-8-12(14)11-17/h5-6,8-10,20H,4,7,11,17H2,1-3H3.
What are the key properties of 2-[1-[2-(aminomethyl)phenyl]-5-propylpyrazol-3-yl]propan-2-ol?
2-[1-[2-(aminomethyl)phenyl]-5-propylpyrazol-3-yl]propan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(aminomethyl)phenyl]-5-propylpyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 175948495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).