N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]acetamide

C8H12FN3O — CID 157037813

IUPACN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]acetamide
SMILESCCn1ncc(CNC(C)=O)c1F
InChIInChI=1S/C8H12FN3O/c1-3-12-8(9)7(5-11-12)4-10-6(2)13/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyAYJBHAGCROZVDJ-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.68
Rot. Bonds3

About N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]acetamide

N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]acetamide (PubChem CID 157037813) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]acetamide
PubChem CID157037813
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]acetamide
SMILESCCn1ncc(CNC(C)=O)c1F
InChIInChI=1S/C8H12FN3O/c1-3-12-8(9)7(5-11-12)4-10-6(2)13/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyAYJBHAGCROZVDJ-UHFFFAOYSA-N
XLogP0.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl[(1-ethyl-1H-pyrazol-4-yl)methyl]amine
CID 16394860
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide
CID 19290567
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 35276265
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 39891826
1-(4-Methyl-1H-pyrazol-1-yl)ethanone
CID 57753203
5-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-1,5-diazacycloundecan-2-one
CID 110201428
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 51093456
3-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-propan-2-ylpropanamide
CID 53595702
3-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide
CID 72142047
N-[(1-propyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylacetamide
CID 91793229
(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 95329675
2,2,2-Trifluoro-1-(4-methyl-1H-pyrazol-1-yl)ethanone
CID 91727167

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]acetamide?
The IUPAC name of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]acetamide (CID 157037813) is N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]acetamide?
The canonical SMILES for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]acetamide is CCn1ncc(CNC(C)=O)c1F.
What is the InChIKey of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]acetamide?
The InChIKey is AYJBHAGCROZVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-3-12-8(9)7(5-11-12)4-10-6(2)13/h5H,3-4H2,1-2H3,(H,10,13).
What are the key properties of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]acetamide?
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]acetamide has a molecular weight of 185.20 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 157037813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).