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

C20H18N4O2 — CID 141484720

IUPAC2-indol-1-yl-N-[1-(3-methoxyphenyl)pyrazol-4-yl]acetamide
SMILESCOc1cccc(-n2cc(NC(=O)Cn3ccc4ccccc43)cn2)c1
InChIInChI=1S/C20H18N4O2/c1-26-18-7-4-6-17(11-18)24-13-16(12-21-24)22-20(25)14-23-10-9-15-5-2-3-8-19(15)23/h2-13H,14H2,1H3,(H,22,25)
InChIKeySJTANXUTJPKBOU-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.47
Rot. Bonds5

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

2-indol-1-yl-N-[1-(3-methoxyphenyl)pyrazol-4-yl]acetamide (PubChem CID 141484720) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-indol-1-yl-N-[1-(3-methoxyphenyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[1-(3-methoxyphenyl)pyrazol-4-yl]acetamide
PubChem CID141484720
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-indol-1-yl-N-[1-(3-methoxyphenyl)pyrazol-4-yl]acetamide
SMILESCOc1cccc(-n2cc(NC(=O)Cn3ccc4ccccc43)cn2)c1
InChIInChI=1S/C20H18N4O2/c1-26-18-7-4-6-17(11-18)24-13-16(12-21-24)22-20(25)14-23-10-9-15-5-2-3-8-19(15)23/h2-13H,14H2,1H3,(H,22,25)
InChIKeySJTANXUTJPKBOU-UHFFFAOYSA-N
XLogP3.47
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-[1-(3-methoxyphenyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-indol-1-yl-N-[1-(3-methoxyphenyl)pyrazol-4-yl]acetamide (CID 141484720) is 2-indol-1-yl-N-[1-(3-methoxyphenyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-indol-1-yl-N-[1-(3-methoxyphenyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-indol-1-yl-N-[1-(3-methoxyphenyl)pyrazol-4-yl]acetamide is COc1cccc(-n2cc(NC(=O)Cn3ccc4ccccc43)cn2)c1.
What is the InChIKey of 2-indol-1-yl-N-[1-(3-methoxyphenyl)pyrazol-4-yl]acetamide?
The InChIKey is SJTANXUTJPKBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-26-18-7-4-6-17(11-18)24-13-16(12-21-24)22-20(25)14-23-10-9-15-5-2-3-8-19(15)23/h2-13H,14H2,1H3,(H,22,25).
What are the key properties of 2-indol-1-yl-N-[1-(3-methoxyphenyl)pyrazol-4-yl]acetamide?
2-indol-1-yl-N-[1-(3-methoxyphenyl)pyrazol-4-yl]acetamide has a molecular weight of 346.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-[1-(3-methoxyphenyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 141484720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).