N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide

C19H18FN3O3 — CID 4777553

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccn(Cc3cccc(F)c3)n2)c1
InChIInChI=1S/C19H18FN3O3/c1-25-16-9-14(10-17(11-16)26-2)19(24)21-18-6-7-23(22-18)12-13-4-3-5-15(20)8-13/h3-11H,12H2,1-2H3,(H,21,22,24)
InChIKeyKTBJVFLJBOPDSS-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.34
Rot. Bonds6

About N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide (PubChem CID 4777553) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide
PubChem CID4777553
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccn(Cc3cccc(F)c3)n2)c1
InChIInChI=1S/C19H18FN3O3/c1-25-16-9-14(10-17(11-16)26-2)19(24)21-18-6-7-23(22-18)12-13-4-3-5-15(20)8-13/h3-11H,12H2,1-2H3,(H,21,22,24)
InChIKeyKTBJVFLJBOPDSS-UHFFFAOYSA-N
XLogP3.34
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide
CID 24768019
N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
N-[1-(dimethylphosphorylmethyl)pyrazol-3-yl]-3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)benzamide
CID 59649405
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
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
3-[(E)-2-(2,5-difluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540611

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide (CID 4777553) is N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccn(Cc3cccc(F)c3)n2)c1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide?
The InChIKey is KTBJVFLJBOPDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-25-16-9-14(10-17(11-16)26-2)19(24)21-18-6-7-23(22-18)12-13-4-3-5-15(20)8-13/h3-11H,12H2,1-2H3,(H,21,22,24).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide has a molecular weight of 355.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 4777553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).