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

C16H18ClN3O — CID 116619358

IUPAC1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methoxyindole
SMILESCCn1nc(C)c(Cl)c1Cn1ccc2cc(OC)ccc21
InChIInChI=1S/C16H18ClN3O/c1-4-20-15(16(17)11(2)18-20)10-19-8-7-12-9-13(21-3)5-6-14(12)19/h5-9H,4,10H2,1-3H3
InChIKeyYQSROOAODPEONY-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.88
Rot. Bonds4

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

1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methoxyindole (PubChem CID 116619358) 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]-5-methoxyindole.

Molecular Properties

Compound Name1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methoxyindole
PubChem CID116619358
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methoxyindole
SMILESCCn1nc(C)c(Cl)c1Cn1ccc2cc(OC)ccc21
InChIInChI=1S/C16H18ClN3O/c1-4-20-15(16(17)11(2)18-20)10-19-8-7-12-9-13(21-3)5-6-14(12)19/h5-9H,4,10H2,1-3H3
InChIKeyYQSROOAODPEONY-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole
CID 83165952
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indole-6-carbaldehyde
CID 102910940
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methylindole
CID 116623011
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole
CID 116618789
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine
CID 114935734
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66242004
5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole
CID 116619485
5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole
CID 102879209
1-(2-amino-5-methoxyphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116602566
2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 113422630
5-methoxy-1-prop-2-ynylindole
CID 45091362
[4-[(5-methoxyindol-1-yl)methyl]phenoxy]boronic acid
CID 169006286

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methoxyindole?
The IUPAC name of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methoxyindole (CID 116619358) is 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methoxyindole.
What is the SMILES notation for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methoxyindole?
The canonical SMILES for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methoxyindole is CCn1nc(C)c(Cl)c1Cn1ccc2cc(OC)ccc21.
What is the InChIKey of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methoxyindole?
The InChIKey is YQSROOAODPEONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-4-20-15(16(17)11(2)18-20)10-19-8-7-12-9-13(21-3)5-6-14(12)19/h5-9H,4,10H2,1-3H3.
What are the key properties of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methoxyindole?
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-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]-5-methoxyindole is sourced from PubChem (CID 116619358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).