3-fluoro-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide

C12H12FN3O2 — CID 18152625

IUPAC3-fluoro-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccn(C)n2)cc1F
InChIInChI=1S/C12H12FN3O2/c1-16-6-5-11(15-16)14-12(17)8-3-4-10(18-2)9(13)7-8/h3-7H,1-2H3,(H,14,15,17)
InChIKeyXMVOSZBSVLSATH-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.82
Rot. Bonds3

About 3-fluoro-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide

3-fluoro-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 18152625) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID18152625
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name3-fluoro-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccn(C)n2)cc1F
InChIInChI=1S/C12H12FN3O2/c1-16-6-5-11(15-16)14-12(17)8-3-4-10(18-2)9(13)7-8/h3-7H,1-2H3,(H,14,15,17)
InChIKeyXMVOSZBSVLSATH-UHFFFAOYSA-N
XLogP1.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560290
2-[4-(dimethylamino)phenyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]acetamide
CID 118560399
4-methoxy-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869417
5-Amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile
CID 2405928
N-[1-[(4-fluorophenyl)methyl]-3-pyrazolyl]-5-methyl-2-furancarboxamide
CID 841204
N-[1-(3-methylbenzyl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 1510954
3-[2-(4-fluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67305810
3-[2-(2,4-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67306982
3-[2-(2-fluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67307127
3-[(E)-2-(2-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540510
3-[(E)-2-(4-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540511
3-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540610

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide (CID 18152625) is 3-fluoro-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide is COc1ccc(C(=O)Nc2ccn(C)n2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is XMVOSZBSVLSATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-16-6-5-11(15-16)14-12(17)8-3-4-10(18-2)9(13)7-8/h3-7H,1-2H3,(H,14,15,17).
What are the key properties of 3-fluoro-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide?
3-fluoro-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 249.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 18152625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).