3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide

C16H18FN3O3 — CID 86999899

IUPAC3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cnn(CC3CCCO3)c2)cc1F
InChIInChI=1S/C16H18FN3O3/c1-22-15-5-4-11(7-14(15)17)16(21)19-12-8-18-20(9-12)10-13-3-2-6-23-13/h4-5,7-9,13H,2-3,6,10H2,1H3,(H,19,21)
InChIKeyLTVHDOGXRJUFEQ-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.46
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide

3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide (PubChem CID 86999899) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
PubChem CID86999899
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cnn(CC3CCCO3)c2)cc1F
InChIInChI=1S/C16H18FN3O3/c1-22-15-5-4-11(7-14(15)17)16(21)19-12-8-18-20(9-12)10-13-3-2-6-23-13/h4-5,7-9,13H,2-3,6,10H2,1H3,(H,19,21)
InChIKeyLTVHDOGXRJUFEQ-UHFFFAOYSA-N
XLogP2.46
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145179
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942
3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136524086
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 51957951
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 129354391
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 129354398
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide
CID 129356006
2-bromo-5-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145129
4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 136578207
3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129356187
3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136521322

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide (CID 86999899) is 3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide is COc1ccc(C(=O)Nc2cnn(CC3CCCO3)c2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide?
The InChIKey is LTVHDOGXRJUFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-22-15-5-4-11(7-14(15)17)16(21)19-12-8-18-20(9-12)10-13-3-2-6-23-13/h4-5,7-9,13H,2-3,6,10H2,1H3,(H,19,21).
What are the key properties of 3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide?
3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide has a molecular weight of 319.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 86999899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).