3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide

C12H12FN3O2 — CID 19410971

IUPAC3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
SMILESCOCn1cc(NC(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C12H12FN3O2/c1-18-8-16-7-11(6-14-16)15-12(17)9-3-2-4-10(13)5-9/h2-7H,8H2,1H3,(H,15,17)
InChIKeyIUYGCDYDDPAIRS-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.88
Rot. Bonds4

About 3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide

3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide (PubChem CID 19410971) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
PubChem CID19410971
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
SMILESCOCn1cc(NC(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C12H12FN3O2/c1-18-8-16-7-11(6-14-16)15-12(17)9-3-2-4-10(13)5-9/h2-7H,8H2,1H3,(H,15,17)
InChIKeyIUYGCDYDDPAIRS-UHFFFAOYSA-N
XLogP1.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340739
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411114
N-[1-(methoxymethyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19410953
3-[(2,4-dimethylphenoxy)methyl]-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411053
3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336537
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19336525
3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336383
N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide
CID 19411100
2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411065
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410901
N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide
CID 19340648

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide (CID 19410971) is 3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide is COCn1cc(NC(=O)c2cccc(F)c2)cn1.
What is the InChIKey of 3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
The InChIKey is IUYGCDYDDPAIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-18-8-16-7-11(6-14-16)15-12(17)9-3-2-4-10(13)5-9/h2-7H,8H2,1H3,(H,15,17).
What are the key properties of 3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide has a molecular weight of 249.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 19410971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).