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

C21H18ClN5O2 — CID 141484718

IUPAC2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide
SMILESCOc1ccc(-n2cc(NC(=O)Cn3ccc(-c4cccc(Cl)c4)n3)cn2)cc1
InChIInChI=1S/C21H18ClN5O2/c1-29-19-7-5-18(6-8-19)27-13-17(12-23-27)24-21(28)14-26-10-9-20(25-26)15-3-2-4-16(22)11-15/h2-13H,14H2,1H3,(H,24,28)
InChIKeyCCWFKHGNLYYUHD-UHFFFAOYSA-N
MW407.86 g/mol
LogP4.04
Rot. Bonds6

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

2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide (PubChem CID 141484718) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide
PubChem CID141484718
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC Name2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide
SMILESCOc1ccc(-n2cc(NC(=O)Cn3ccc(-c4cccc(Cl)c4)n3)cn2)cc1
InChIInChI=1S/C21H18ClN5O2/c1-29-19-7-5-18(6-8-19)27-13-17(12-23-27)24-21(28)14-26-10-9-20(25-26)15-3-2-4-16(22)11-15/h2-13H,14H2,1H3,(H,24,28)
InChIKeyCCWFKHGNLYYUHD-UHFFFAOYSA-N
XLogP4.04
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide (CID 141484718) is 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide is COc1ccc(-n2cc(NC(=O)Cn3ccc(-c4cccc(Cl)c4)n3)cn2)cc1.
What is the InChIKey of 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide?
The InChIKey is CCWFKHGNLYYUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c1-29-19-7-5-18(6-8-19)27-13-17(12-23-27)24-21(28)14-26-10-9-20(25-26)15-3-2-4-16(22)11-15/h2-13H,14H2,1H3,(H,24,28).
What are the key properties of 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide?
2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide has a molecular weight of 407.86 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 141484718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).