N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-fluoroacetamide

C8H12FN3O — CID 67477588

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-2-fluoroacetamide
SMILESCc1cc(CNC(=O)CF)nn1C
InChIInChI=1S/C8H12FN3O/c1-6-3-7(11-12(6)2)5-10-8(13)4-9/h3H,4-5H2,1-2H3,(H,10,13)
InChIKeyIQQVFCBXABXDIU-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.31
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-fluoroacetamide

N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-fluoroacetamide (PubChem CID 67477588) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-fluoroacetamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-2-fluoroacetamide
PubChem CID67477588
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-2-fluoroacetamide
SMILESCc1cc(CNC(=O)CF)nn1C
InChIInChI=1S/C8H12FN3O/c1-6-3-7(11-12(6)2)5-10-8(13)4-9/h3H,4-5H2,1-2H3,(H,10,13)
InChIKeyIQQVFCBXABXDIU-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-fluoroacetamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-fluoroacetamide (CID 67477588) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-fluoroacetamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-fluoroacetamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-fluoroacetamide is Cc1cc(CNC(=O)CF)nn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-fluoroacetamide?
The InChIKey is IQQVFCBXABXDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-6-3-7(11-12(6)2)5-10-8(13)4-9/h3H,4-5H2,1-2H3,(H,10,13).
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-fluoroacetamide?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-fluoroacetamide has a molecular weight of 185.20 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-fluoroacetamide is sourced from PubChem (CID 67477588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).