4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide

C20H20ClN3O3 — CID 42874186

IUPAC4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide
SMILESCCc1[nH]nc(-c2ccc(OC)cc2OC)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O3/c1-4-16-19(22-20(25)12-5-7-13(21)8-6-12)18(24-23-16)15-10-9-14(26-2)11-17(15)27-3/h5-11H,4H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyLLHXHALMLOVQKW-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.56
Rot. Bonds6

About 4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide

4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide (PubChem CID 42874186) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide
PubChem CID42874186
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide
SMILESCCc1[nH]nc(-c2ccc(OC)cc2OC)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O3/c1-4-16-19(22-20(25)12-5-7-13(21)8-6-12)18(24-23-16)15-10-9-14(26-2)11-17(15)27-3/h5-11H,4H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyLLHXHALMLOVQKW-UHFFFAOYSA-N
XLogP4.56
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide
CID 42685781
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide
CID 42686789
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686795
N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-3-fluorobenzamide
CID 42685787
1-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea
CID 42874376
4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide
CID 110778514
3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide
CID 42686831
1-(4-chlorophenyl)-3-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]urea
CID 42687445
4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686376
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
CID 42685754
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 42685772
N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 42687103

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide (CID 42874186) is 4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide is CCc1[nH]nc(-c2ccc(OC)cc2OC)c1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide?
The InChIKey is LLHXHALMLOVQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-4-16-19(22-20(25)12-5-7-13(21)8-6-12)18(24-23-16)15-10-9-14(26-2)11-17(15)27-3/h5-11H,4H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide?
4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide has a molecular weight of 385.85 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 42874186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).