N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide

C21H22ClN3O2 — CID 42685933

IUPACN-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
SMILESCCCc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C21H22ClN3O2/c1-3-4-18-21(20(25-24-18)15-7-9-16(22)10-8-15)23-19(26)13-14-5-11-17(27-2)12-6-14/h5-12H,3-4,13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVQZCLUKBAGLCCQ-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.87
Rot. Bonds7

About N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide

N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 42685933) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID42685933
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC NameN-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
SMILESCCCc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C21H22ClN3O2/c1-3-4-18-21(20(25-24-18)15-7-9-16(22)10-8-15)23-19(26)13-14-5-11-17(27-2)12-6-14/h5-12H,3-4,13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVQZCLUKBAGLCCQ-UHFFFAOYSA-N
XLogP4.87
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide
CID 42686943
2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 42687579
4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686376
N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
CID 42687612
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide
CID 42874098
4-chloro-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide
CID 42686565
N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42687652
2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetamide
CID 42687695
N-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 42685691
N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42687684
2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide
CID 42687233

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide (CID 42685933) is N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide is CCCc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is VQZCLUKBAGLCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-3-4-18-21(20(25-24-18)15-7-9-16(22)10-8-15)23-19(26)13-14-5-11-17(27-2)12-6-14/h5-12H,3-4,13H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide?
N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 383.88 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 42685933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).