N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-fluoro-4-methoxybenzamide

C20H20FN3O2 — CID 37008314

IUPACN-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-fluoro-4-methoxybenzamide
SMILESCCc1ccc(Cn2nccc2NC(=O)c2ccc(OC)cc2F)cc1
InChIInChI=1S/C20H20FN3O2/c1-3-14-4-6-15(7-5-14)13-24-19(10-11-22-24)23-20(25)17-9-8-16(26-2)12-18(17)21/h4-12H,3,13H2,1-2H3,(H,23,25)
InChIKeyBTAUYIBYRVVUAS-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.89
Rot. Bonds6

About N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-fluoro-4-methoxybenzamide

N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-fluoro-4-methoxybenzamide (PubChem CID 37008314) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-fluoro-4-methoxybenzamide
PubChem CID37008314
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-fluoro-4-methoxybenzamide
SMILESCCc1ccc(Cn2nccc2NC(=O)c2ccc(OC)cc2F)cc1
InChIInChI=1S/C20H20FN3O2/c1-3-14-4-6-15(7-5-14)13-24-19(10-11-22-24)23-20(25)17-9-8-16(26-2)12-18(17)21/h4-12H,3,13H2,1-2H3,(H,23,25)
InChIKeyBTAUYIBYRVVUAS-UHFFFAOYSA-N
XLogP3.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.89
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
(5S,7R)-5-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136252896
4-methoxy-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869417
N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
5-Amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile
CID 2405928
4-[(4-bromophenoxy)methyl]-N-[1-(2-fluorobenzyl)-1H-pyrazol-3-yl]benzamide
CID 997438
N-[1-(3-methylbenzyl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 1510954
ethyl 5-[(4-methoxybenzoyl)amino]-1-{2-[(4-methoxybenzoyl)oxy]ethyl}-1H-pyrazole-4-carboxylate
CID 12005146
3-[2-(2-methoxyphenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67305655
3-[2-(4-fluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67305810

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-fluoro-4-methoxybenzamide (CID 37008314) is N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-fluoro-4-methoxybenzamide is CCc1ccc(Cn2nccc2NC(=O)c2ccc(OC)cc2F)cc1.
What is the InChIKey of N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-fluoro-4-methoxybenzamide?
The InChIKey is BTAUYIBYRVVUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-3-14-4-6-15(7-5-14)13-24-19(10-11-22-24)23-20(25)17-9-8-16(26-2)12-18(17)21/h4-12H,3,13H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-fluoro-4-methoxybenzamide?
N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-fluoro-4-methoxybenzamide has a molecular weight of 353.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 37008314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).