5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide

C20H20ClN3O2 — CID 71824226

IUPAC5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(-c2[nH]ncc2C(=O)NCc2cccc(C)c2)cc1Cl
InChIInChI=1S/C20H20ClN3O2/c1-3-26-18-8-7-15(10-17(18)21)19-16(12-23-24-19)20(25)22-11-14-6-4-5-13(2)9-14/h4-10,12H,3,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyNPJXJAXJLIZSKU-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.37
Rot. Bonds6

About 5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide

5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 71824226) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID71824226
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(-c2[nH]ncc2C(=O)NCc2cccc(C)c2)cc1Cl
InChIInChI=1S/C20H20ClN3O2/c1-3-26-18-8-7-15(10-17(18)21)19-16(12-23-24-19)20(25)22-11-14-6-4-5-13(2)9-14/h4-10,12H,3,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyNPJXJAXJLIZSKU-UHFFFAOYSA-N
XLogP4.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824675
N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53490368
5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824470
5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide
CID 71824281
[5-(3-chloro-4-ethoxyphenyl)-1H-pyrazol-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 71824844
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 95795220
5-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 71824448
N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824423
N-[(3-aminophenyl)methyl]-2-ethoxy-5-methylbenzamide
CID 130278867
N-[(3-butoxyphenyl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55846230

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 71824226) is 5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide is CCOc1ccc(-c2[nH]ncc2C(=O)NCc2cccc(C)c2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is NPJXJAXJLIZSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-3-26-18-8-7-15(10-17(18)21)19-16(12-23-24-19)20(25)22-11-14-6-4-5-13(2)9-14/h4-10,12H,3,11H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide?
5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).