4-(5-chloro-1H-inden-4-yl)-3-ethyl-1,5-dimethylpyrazole

C16H17ClN2 — CID 167673915

IUPAC4-(5-chloro-1H-inden-4-yl)-3-ethyl-1,5-dimethylpyrazole
SMILESCCc1nn(C)c(C)c1-c1c(Cl)ccc2c1C=CC2
InChIInChI=1S/C16H17ClN2/c1-4-14-15(10(2)19(3)18-14)16-12-7-5-6-11(12)8-9-13(16)17/h5,7-9H,4,6H2,1-3H3
InChIKeyJXACSKKRPVTCSG-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.18
Rot. Bonds2

About 4-(5-chloro-1H-inden-4-yl)-3-ethyl-1,5-dimethylpyrazole

4-(5-chloro-1H-inden-4-yl)-3-ethyl-1,5-dimethylpyrazole (PubChem CID 167673915) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-(5-chloro-1H-inden-4-yl)-3-ethyl-1,5-dimethylpyrazole.

Molecular Properties

Compound Name4-(5-chloro-1H-inden-4-yl)-3-ethyl-1,5-dimethylpyrazole
PubChem CID167673915
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name4-(5-chloro-1H-inden-4-yl)-3-ethyl-1,5-dimethylpyrazole
SMILESCCc1nn(C)c(C)c1-c1c(Cl)ccc2c1C=CC2
InChIInChI=1S/C16H17ClN2/c1-4-14-15(10(2)19(3)18-14)16-12-7-5-6-11(12)8-9-13(16)17/h5,7-9H,4,6H2,1-3H3
InChIKeyJXACSKKRPVTCSG-UHFFFAOYSA-N
XLogP4.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1H-inden-4-yl)-3-ethyl-1,5-dimethylpyrazole?
The IUPAC name of 4-(5-chloro-1H-inden-4-yl)-3-ethyl-1,5-dimethylpyrazole (CID 167673915) is 4-(5-chloro-1H-inden-4-yl)-3-ethyl-1,5-dimethylpyrazole.
What is the SMILES notation for 4-(5-chloro-1H-inden-4-yl)-3-ethyl-1,5-dimethylpyrazole?
The canonical SMILES for 4-(5-chloro-1H-inden-4-yl)-3-ethyl-1,5-dimethylpyrazole is CCc1nn(C)c(C)c1-c1c(Cl)ccc2c1C=CC2.
What is the InChIKey of 4-(5-chloro-1H-inden-4-yl)-3-ethyl-1,5-dimethylpyrazole?
The InChIKey is JXACSKKRPVTCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-4-14-15(10(2)19(3)18-14)16-12-7-5-6-11(12)8-9-13(16)17/h5,7-9H,4,6H2,1-3H3.
What are the key properties of 4-(5-chloro-1H-inden-4-yl)-3-ethyl-1,5-dimethylpyrazole?
4-(5-chloro-1H-inden-4-yl)-3-ethyl-1,5-dimethylpyrazole has a molecular weight of 272.78 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1H-inden-4-yl)-3-ethyl-1,5-dimethylpyrazole is sourced from PubChem (CID 167673915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).