1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole

C17H20ClN3 — CID 116618789

IUPAC1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole
SMILESCCc1cccc2ccn(Cc3c(Cl)c(C)nn3CC)c12
InChIInChI=1S/C17H20ClN3/c1-4-13-7-6-8-14-9-10-20(17(13)14)11-15-16(18)12(3)19-21(15)5-2/h6-10H,4-5,11H2,1-3H3
InChIKeyWDIQHZBBUGJBCI-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.43
Rot. Bonds4

About 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole

1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole (PubChem CID 116618789) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole.

Molecular Properties

Compound Name1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole
PubChem CID116618789
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole
SMILESCCc1cccc2ccn(Cc3c(Cl)c(C)nn3CC)c12
InChIInChI=1S/C17H20ClN3/c1-4-13-7-6-8-14-9-10-20(17(13)14)11-15-16(18)12(3)19-21(15)5-2/h6-10H,4-5,11H2,1-3H3
InChIKeyWDIQHZBBUGJBCI-UHFFFAOYSA-N
XLogP4.43
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine
CID 114935734
1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole
CID 116618712
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indole-6-carbaldehyde
CID 102910940
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1,3-thiazol-2-one
CID 116622694
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methoxyindole
CID 116619358
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole
CID 83165952
1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole
CID 102861491
1-[(2-bromophenyl)methyl]-7-ethylindole
CID 116618984
5,6-dichloro-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrimidin-4-one
CID 114583038
4-chloro-3-[(7-ethylindol-1-yl)methyl]aniline
CID 43169098
1-(2,2-difluoroethyl)-7-ethylindole
CID 116618758
5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630203

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole?
The IUPAC name of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole (CID 116618789) is 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole.
What is the SMILES notation for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole?
The canonical SMILES for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole is CCc1cccc2ccn(Cc3c(Cl)c(C)nn3CC)c12.
What is the InChIKey of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole?
The InChIKey is WDIQHZBBUGJBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-4-13-7-6-8-14-9-10-20(17(13)14)11-15-16(18)12(3)19-21(15)5-2/h6-10H,4-5,11H2,1-3H3.
What are the key properties of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole?
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole has a molecular weight of 301.82 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole is sourced from PubChem (CID 116618789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).