5-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide

C20H20ClN3O2 — CID 55958422

IUPAC5-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2/c1-3-26-18-7-5-4-6-15(18)13-24(2)20(25)17-12-22-23-19(17)14-8-10-16(21)11-9-14/h4-12H,3,13H2,1-2H3,(H,22,23)
InChIKeyFHIGBLQZBIBGPK-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.40
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 55958422) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID55958422
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name5-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2/c1-3-26-18-7-5-4-6-15(18)13-24(2)20(25)17-12-22-23-19(17)14-8-10-16(21)11-9-14/h4-12H,3,13H2,1-2H3,(H,22,23)
InChIKeyFHIGBLQZBIBGPK-UHFFFAOYSA-N
XLogP4.40
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 24661008
5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide
CID 16596269
4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81230248
N-[(5-bromothiophen-2-yl)methyl]-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 16596863
ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
CID 22831657
5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide
CID 165385275
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide
CID 55958040
methyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate
CID 43409768
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
CID 72872063
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
methyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 61032083
N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 61026834

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide (CID 55958422) is 5-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide is CCOc1ccccc1CN(C)C(=O)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is FHIGBLQZBIBGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-3-26-18-7-5-4-6-15(18)13-24(2)20(25)17-12-22-23-19(17)14-8-10-16(21)11-9-14/h4-12H,3,13H2,1-2H3,(H,22,23).
What are the key properties of 5-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 55958422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).