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

C15H15Cl2N3 — CID 116620605

IUPAC6-chloro-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indole
SMILESCCc1nn(C)c(Cn2ccc3ccc(Cl)cc32)c1Cl
InChIInChI=1S/C15H15Cl2N3/c1-3-12-15(17)14(19(2)18-12)9-20-7-6-10-4-5-11(16)8-13(10)20/h4-8H,3,9H2,1-2H3
InChIKeyCNKDLYXJRYZVKF-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.29
Rot. Bonds3

About 6-chloro-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indole

6-chloro-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indole (PubChem CID 116620605) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is 6-chloro-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indole.

Molecular Properties

Compound Name6-chloro-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indole
PubChem CID116620605
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC Name6-chloro-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indole
SMILESCCc1nn(C)c(Cn2ccc3ccc(Cl)cc32)c1Cl
InChIInChI=1S/C15H15Cl2N3/c1-3-12-15(17)14(19(2)18-12)9-20-7-6-10-4-5-11(16)8-13(10)20/h4-8H,3,9H2,1-2H3
InChIKeyCNKDLYXJRYZVKF-UHFFFAOYSA-N
XLogP4.29
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol
CID 102912844
1-butyl-6-chloroindole
CID 67583801
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrole-2-carbaldehyde
CID 66408783
6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole
CID 114859541
2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 116620548
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
N-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79108705
6-chloro-1-[(3,4-difluorophenyl)methyl]indole
CID 116620611
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indole-6-carbaldehyde
CID 102910940
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine
CID 104998510
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 106672188
6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041483

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indole?
The IUPAC name of 6-chloro-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indole (CID 116620605) is 6-chloro-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indole.
What is the SMILES notation for 6-chloro-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indole?
The canonical SMILES for 6-chloro-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indole is CCc1nn(C)c(Cn2ccc3ccc(Cl)cc32)c1Cl.
What is the InChIKey of 6-chloro-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indole?
The InChIKey is CNKDLYXJRYZVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3/c1-3-12-15(17)14(19(2)18-12)9-20-7-6-10-4-5-11(16)8-13(10)20/h4-8H,3,9H2,1-2H3.
What are the key properties of 6-chloro-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indole?
6-chloro-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indole has a molecular weight of 308.21 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indole is sourced from PubChem (CID 116620605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).