2,2-difluoro-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]propan-1-ol

C10H17F2N3O — CID 106176024

IUPAC2,2-difluoro-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]propan-1-ol
SMILESCC(C)n1ccc(CNCC(F)(F)CO)n1
InChIInChI=1S/C10H17F2N3O/c1-8(2)15-4-3-9(14-15)5-13-6-10(11,12)7-16/h3-4,8,13,16H,5-7H2,1-2H3
InChIKeyYUUUHQCQDMKHLH-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.18
Rot. Bonds6

About 2,2-difluoro-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]propan-1-ol

2,2-difluoro-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]propan-1-ol (PubChem CID 106176024) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is 2,2-difluoro-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]propan-1-ol
PubChem CID106176024
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name2,2-difluoro-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]propan-1-ol
SMILESCC(C)n1ccc(CNCC(F)(F)CO)n1
InChIInChI=1S/C10H17F2N3O/c1-8(2)15-4-3-9(14-15)5-13-6-10(11,12)7-16/h3-4,8,13,16H,5-7H2,1-2H3
InChIKeyYUUUHQCQDMKHLH-UHFFFAOYSA-N
XLogP1.18
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 103699639
N,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 64771973
1-(2,4-difluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64687357
3-iodo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 114503659
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126965188
3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol
CID 106146536
N-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 122168776
4-chloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-1-amine
CID 106122187
3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride
CID 126966507
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 122169111
N,N-dimethyl-4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline
CID 122168247
2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79449988

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]propan-1-ol (CID 106176024) is 2,2-difluoro-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]propan-1-ol is CC(C)n1ccc(CNCC(F)(F)CO)n1.
What is the InChIKey of 2,2-difluoro-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]propan-1-ol?
The InChIKey is YUUUHQCQDMKHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-8(2)15-4-3-9(14-15)5-13-6-10(11,12)7-16/h3-4,8,13,16H,5-7H2,1-2H3.
What are the key properties of 2,2-difluoro-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]propan-1-ol?
2,2-difluoro-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]propan-1-ol has a molecular weight of 233.26 g/mol, XLogP of 1.18, 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-[(1-propan-2-ylpyrazol-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 106176024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).