2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol

C11H19F2N3O — CID 114270884

IUPAC2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol
SMILESCC(C)C(Cn1cccn1)NCC(F)(F)CO
InChIInChI=1S/C11H19F2N3O/c1-9(2)10(6-16-5-3-4-15-16)14-7-11(12,13)8-17/h3-5,9-10,14,17H,6-8H2,1-2H3
InChIKeyLWXGHQPEDLSXHQ-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.12
Rot. Bonds7

About 2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol

2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol (PubChem CID 114270884) has the molecular formula C11H19F2N3O and a molecular weight of 247.29 g/mol. Its IUPAC name is 2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol
PubChem CID114270884
Molecular FormulaC11H19F2N3O
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol
SMILESCC(C)C(Cn1cccn1)NCC(F)(F)CO
InChIInChI=1S/C11H19F2N3O/c1-9(2)10(6-16-5-3-4-15-16)14-7-11(12,13)8-17/h3-5,9-10,14,17H,6-8H2,1-2H3
InChIKeyLWXGHQPEDLSXHQ-UHFFFAOYSA-N
XLogP1.12
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol with MolForge

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Related Compounds

(2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine
CID 100620691
N-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide
CID 104857616
N',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine
CID 114270847
N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide
CID 104858205
3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine
CID 114270882
ethyl 2-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propanoate
CID 114270845
4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol
CID 104891912
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
(2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol
CID 124508863
(2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine
CID 124736967
1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
CID 61462811
2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 115977842

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol (CID 114270884) is 2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol is CC(C)C(Cn1cccn1)NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol?
The InChIKey is LWXGHQPEDLSXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O/c1-9(2)10(6-16-5-3-4-15-16)14-7-11(12,13)8-17/h3-5,9-10,14,17H,6-8H2,1-2H3.
What are the key properties of 2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol?
2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol has a molecular weight of 247.29 g/mol, XLogP of 1.12, 7 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-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 114270884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).