N-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]acetamide

C8H12FN3O — CID 168985001

IUPACN-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1[nH]ncc1F
InChIInChI=1S/C8H12FN3O/c1-5(13)11-8(2,3)7-6(9)4-10-12-7/h4H,1-3H3,(H,10,12)(H,11,13)
InChIKeyUOAXNDWYFSUGNS-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.92
Rot. Bonds2

About N-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]acetamide

N-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]acetamide (PubChem CID 168985001) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is N-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]acetamide
PubChem CID168985001
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC NameN-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1[nH]ncc1F
InChIInChI=1S/C8H12FN3O/c1-5(13)11-8(2,3)7-6(9)4-10-12-7/h4H,1-3H3,(H,10,12)(H,11,13)
InChIKeyUOAXNDWYFSUGNS-UHFFFAOYSA-N
XLogP0.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]propanamide
CID 169745825
N-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]propanamide
CID 169745846
N-[2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-yl]acetamide
CID 169746571
N-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]-N-methylacetamide
CID 169746821
3,3,3-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 62039663
2,2,2-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62039882
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 79811435
2,2-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 103514039
N-[(2R)-2-(4-amino-1H-pyrazol-5-yl)propyl]-2,2,2-trifluoroacetamide
CID 151410147
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62039422
N-(5-tert-butyl-1H-pyrazol-4-yl)acetamide
CID 138717171
N-[(4-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide
CID 157037147

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]acetamide?
The IUPAC name of N-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]acetamide (CID 168985001) is N-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]acetamide is CC(=O)NC(C)(C)c1[nH]ncc1F.
What is the InChIKey of N-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]acetamide?
The InChIKey is UOAXNDWYFSUGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-5(13)11-8(2,3)7-6(9)4-10-12-7/h4H,1-3H3,(H,10,12)(H,11,13).
What are the key properties of N-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]acetamide?
N-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]acetamide has a molecular weight of 185.20 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]acetamide is sourced from PubChem (CID 168985001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).