7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole

C15H16ClN3 — CID 103475099

IUPAC7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole
SMILESCCc1cc(Cn2ccc3cccc(Cl)c32)n(C)n1
InChIInChI=1S/C15H16ClN3/c1-3-12-9-13(18(2)17-12)10-19-8-7-11-5-4-6-14(16)15(11)19/h4-9H,3,10H2,1-2H3
InChIKeyAAFOYCXTSKHPPY-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.64
Rot. Bonds3

About 7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole

7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole (PubChem CID 103475099) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole.

Molecular Properties

Compound Name7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole
PubChem CID103475099
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole
SMILESCCc1cc(Cn2ccc3cccc(Cl)c32)n(C)n1
InChIInChI=1S/C15H16ClN3/c1-3-12-9-13(18(2)17-12)10-19-8-7-11-5-4-6-14(16)15(11)19/h4-9H,3,10H2,1-2H3
InChIKeyAAFOYCXTSKHPPY-UHFFFAOYSA-N
XLogP3.64
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole
CID 103474991
2-(7-chloroindol-1-yl)-N,N-diethylethanamine
CID 103475461
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile
CID 107920157
7-chloro-1-[(2,6-dimethylphenyl)methyl]indole
CID 103475380
7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole
CID 103475068
1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylmethanamine
CID 66402333
7-chloro-1-decylindole
CID 103474775
1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine
CID 79103011
7-chloro-1-(2-methoxyethyl)indole
CID 103474736
2-(7-chloroindol-1-yl)-N-ethylethanamine
CID 103474607
5-[(7-chloroindol-1-yl)methyl]-1,3-thiazole
CID 103475549
1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole
CID 102861491

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole?
The IUPAC name of 7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole (CID 103475099) is 7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole.
What is the SMILES notation for 7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole?
The canonical SMILES for 7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole is CCc1cc(Cn2ccc3cccc(Cl)c32)n(C)n1.
What is the InChIKey of 7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole?
The InChIKey is AAFOYCXTSKHPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-3-12-9-13(18(2)17-12)10-19-8-7-11-5-4-6-14(16)15(11)19/h4-9H,3,10H2,1-2H3.
What are the key properties of 7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole?
7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole has a molecular weight of 273.77 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole is sourced from PubChem (CID 103475099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).