2,2-difluoro-3-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol

C13H15F2N3O — CID 86795044

IUPAC2,2-difluoro-3-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol
SMILESOCC(F)(F)CNCc1cccc(-n2cccn2)c1
InChIInChI=1S/C13H15F2N3O/c14-13(15,10-19)9-16-8-11-3-1-4-12(7-11)18-6-2-5-17-18/h1-7,16,19H,8-10H2
InChIKeyIWZYWVDORHWQSQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.59
Rot. Bonds6

About 2,2-difluoro-3-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol

2,2-difluoro-3-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol (PubChem CID 86795044) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 2,2-difluoro-3-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol
PubChem CID86795044
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2,2-difluoro-3-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol
SMILESOCC(F)(F)CNCc1cccc(-n2cccn2)c1
InChIInChI=1S/C13H15F2N3O/c14-13(15,10-19)9-16-8-11-3-1-4-12(7-11)18-6-2-5-17-18/h1-7,16,19H,8-10H2
InChIKeyIWZYWVDORHWQSQ-UHFFFAOYSA-N
XLogP1.59
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol (CID 86795044) is 2,2-difluoro-3-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol is OCC(F)(F)CNCc1cccc(-n2cccn2)c1.
What is the InChIKey of 2,2-difluoro-3-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol?
The InChIKey is IWZYWVDORHWQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c14-13(15,10-19)9-16-8-11-3-1-4-12(7-11)18-6-2-5-17-18/h1-7,16,19H,8-10H2.
What are the key properties of 2,2-difluoro-3-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol?
2,2-difluoro-3-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol has a molecular weight of 267.28 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 86795044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).