N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide

C9H13F2N3O2 — CID 104858205

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NCC(F)(F)CO
InChIInChI=1S/C9H13F2N3O2/c10-9(11,7-15)6-12-8(16)2-5-14-4-1-3-13-14/h1,3-4,15H,2,5-7H2,(H,12,16)
InChIKeyYIISJRSYAHKAKX-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.02
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide

N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide (PubChem CID 104858205) has the molecular formula C9H13F2N3O2 and a molecular weight of 233.22 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide
PubChem CID104858205
Molecular FormulaC9H13F2N3O2
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NCC(F)(F)CO
InChIInChI=1S/C9H13F2N3O2/c10-9(11,7-15)6-12-8(16)2-5-14-4-1-3-13-14/h1,3-4,15H,2,5-7H2,(H,12,16)
InChIKeyYIISJRSYAHKAKX-UHFFFAOYSA-N
XLogP0.02
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide
CID 114383611
N-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide
CID 104857616
N-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide
CID 115870093
N-cyclopropyl-3-pyrazol-1-ylpropanamide
CID 60706933
3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid
CID 79795735
3-pyrazol-1-yl-N-(2-sulfamoylethyl)propanamide
CID 61130673
3-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120810613
N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 104857888
3-pyrazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 61004651
N-(2-oxo-2-piperazin-1-ylethyl)-3-pyrazol-1-ylpropanamide
CID 61176642
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027
N-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide
CID 81089925

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide (CID 104858205) is N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide?
The InChIKey is YIISJRSYAHKAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2/c10-9(11,7-15)6-12-8(16)2-5-14-4-1-3-13-14/h1,3-4,15H,2,5-7H2,(H,12,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide has a molecular weight of 233.22 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 104858205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).