1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole

C16H18ClN3O — CID 83165952

IUPAC1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole
SMILESCCn1nc(C)c(Cl)c1Cn1ccc2c(OC)cccc21
InChIInChI=1S/C16H18ClN3O/c1-4-20-14(16(17)11(2)18-20)10-19-9-8-12-13(19)6-5-7-15(12)21-3/h5-9H,4,10H2,1-3H3
InChIKeyFQJAWYDGCYGKRB-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.88
Rot. Bonds4

About 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole

1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole (PubChem CID 83165952) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole.

Molecular Properties

Compound Name1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole
PubChem CID83165952
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole
SMILESCCn1nc(C)c(Cl)c1Cn1ccc2c(OC)cccc21
InChIInChI=1S/C16H18ClN3O/c1-4-20-14(16(17)11(2)18-20)10-19-9-8-12-13(19)6-5-7-15(12)21-3/h5-9H,4,10H2,1-3H3
InChIKeyFQJAWYDGCYGKRB-UHFFFAOYSA-N
XLogP3.88
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methoxyindole
CID 116619358
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole
CID 116620195
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole
CID 116620304
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-fluoroindole
CID 82792004
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine
CID 114935734
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole
CID 116618789
5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 66013664
1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
CID 103050113
4-methoxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]indole
CID 83173536
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indole-6-carbaldehyde
CID 102910940
4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole
CID 83173718
4-methoxy-1-(2-pyrazol-1-ylethyl)indole
CID 83174518

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole?
The IUPAC name of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole (CID 83165952) is 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole.
What is the SMILES notation for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole?
The canonical SMILES for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole is CCn1nc(C)c(Cl)c1Cn1ccc2c(OC)cccc21.
What is the InChIKey of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole?
The InChIKey is FQJAWYDGCYGKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-4-20-14(16(17)11(2)18-20)10-19-9-8-12-13(19)6-5-7-15(12)21-3/h5-9H,4,10H2,1-3H3.
What are the key properties of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole?
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole has a molecular weight of 303.79 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole is sourced from PubChem (CID 83165952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).