2-(6-chloroindol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide

C15H15ClN4O — CID 71887573

IUPAC2-(6-chloroindol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)Cn2ccc3ccc(Cl)cc32)cn1
InChIInChI=1S/C15H15ClN4O/c1-2-20-9-13(8-17-20)18-15(21)10-19-6-5-11-3-4-12(16)7-14(11)19/h3-9H,2,10H2,1H3,(H,18,21)
InChIKeyZZTMIVKNXAGGOC-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.15
Rot. Bonds4

About 2-(6-chloroindol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide

2-(6-chloroindol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide (PubChem CID 71887573) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 2-(6-chloroindol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloroindol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide
PubChem CID71887573
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name2-(6-chloroindol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)Cn2ccc3ccc(Cl)cc32)cn1
InChIInChI=1S/C15H15ClN4O/c1-2-20-9-13(8-17-20)18-15(21)10-19-6-5-11-3-4-12(16)7-14(11)19/h3-9H,2,10H2,1H3,(H,18,21)
InChIKeyZZTMIVKNXAGGOC-UHFFFAOYSA-N
XLogP3.15
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloroindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 115590572
2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55997984
3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 51091479
2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 42655004
2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide
CID 56798550
4-chloro-N-(1-ethylpyrazol-4-yl)butanamide
CID 63309396
2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide
CID 116621944
2-(6-chloroindol-1-yl)-N-cyclopentylacetamide
CID 39339466
2-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485746
N-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide
CID 60567548
2-(5-chloroindol-1-yl)-N-pyridin-3-ylacetamide
CID 39341577
2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 110908781

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(6-chloroindol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide (CID 71887573) is 2-(6-chloroindol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(6-chloroindol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(6-chloroindol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide is CCn1cc(NC(=O)Cn2ccc3ccc(Cl)cc32)cn1.
What is the InChIKey of 2-(6-chloroindol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide?
The InChIKey is ZZTMIVKNXAGGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-2-20-9-13(8-17-20)18-15(21)10-19-6-5-11-3-4-12(16)7-14(11)19/h3-9H,2,10H2,1H3,(H,18,21).
What are the key properties of 2-(6-chloroindol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide?
2-(6-chloroindol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide has a molecular weight of 302.77 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 71887573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).