N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide

C13H14FN3O2 — CID 19340648

IUPACN-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide
SMILESCCOCn1cc(NC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C13H14FN3O2/c1-2-19-9-17-8-12(7-15-17)16-13(18)10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3,(H,16,18)
InChIKeyBQFPXEJLJKDUBO-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.27
Rot. Bonds5

About N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide

N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide (PubChem CID 19340648) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide
PubChem CID19340648
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide
SMILESCCOCn1cc(NC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C13H14FN3O2/c1-2-19-9-17-8-12(7-15-17)16-13(18)10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3,(H,16,18)
InChIKeyBQFPXEJLJKDUBO-UHFFFAOYSA-N
XLogP2.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide
CID 19340608
N-[1-(ethoxymethyl)pyrazol-4-yl]-3,5-dinitrobenzamide
CID 19340493
2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340469
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide
CID 19475516
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262670
4-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-nitrobenzamide
CID 19340667
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504753
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411114
2-[5-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482652
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474460
3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410971

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide (CID 19340648) is N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide is CCOCn1cc(NC(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide?
The InChIKey is BQFPXEJLJKDUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-2-19-9-17-8-12(7-15-17)16-13(18)10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3,(H,16,18).
What are the key properties of N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide?
N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide has a molecular weight of 263.27 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 19340648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).