5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide

C20H20FN3O3 — CID 71824303

IUPAC5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)NC(C)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C20H20FN3O3/c1-12(13-4-7-15(21)8-5-13)23-20(25)16-11-22-24-19(16)14-6-9-17(26-2)18(10-14)27-3/h4-12H,1-3H3,(H,22,24)(H,23,25)
InChIKeySXTZFBYAAYYCQF-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.72
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide

5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 71824303) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID71824303
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)NC(C)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C20H20FN3O3/c1-12(13-4-7-15(21)8-5-13)23-20(25)16-11-22-24-19(16)14-6-9-17(26-2)18(10-14)27-3/h4-12H,1-3H3,(H,22,24)(H,23,25)
InChIKeySXTZFBYAAYYCQF-UHFFFAOYSA-N
XLogP3.72
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 95795144
5-(4-chlorophenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 94049155
5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 95795220
5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)-1H-pyrazole-4-carboxamide
CID 91639554
5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 100906875
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118663007
5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 95795174
N-[1-(4-methoxyphenyl)ethyl]-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 71824160
N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 95795239
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide
CID 28560307
5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 25330536
N-(cyclohexylmethyl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 71824298

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide (CID 71824303) is 5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide is COc1ccc(-c2[nH]ncc2C(=O)NC(C)c2ccc(F)cc2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is SXTZFBYAAYYCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-12(13-4-7-15(21)8-5-13)23-20(25)16-11-22-24-19(16)14-6-9-17(26-2)18(10-14)27-3/h4-12H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide?
5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).