4-chloro-1,7-dimethylindazole;ethane;2-pyrrolidin-1-ylacetamide

C17H27ClN4O — CID 145080742

IUPAC4-chloro-1,7-dimethylindazole;ethane;2-pyrrolidin-1-ylacetamide
SMILESCC.Cc1ccc(Cl)c2cnn(C)c12.NC(=O)CN1CCCC1
InChIInChI=1S/C9H9ClN2.C6H12N2O.C2H6/c1-6-3-4-8(10)7-5-11-12(2)9(6)7;7-6(9)5-8-3-1-2-4-8;1-2/h3-5H,1-2H3;1-5H2,(H2,7,9);1-2H3
InChIKeyOUBIYTBMQICAAO-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.13
Rot. Bonds2

About 4-chloro-1,7-dimethylindazole;ethane;2-pyrrolidin-1-ylacetamide

4-chloro-1,7-dimethylindazole;ethane;2-pyrrolidin-1-ylacetamide (PubChem CID 145080742) has the molecular formula C17H27ClN4O and a molecular weight of 338.88 g/mol. Its IUPAC name is 4-chloro-1,7-dimethylindazole;ethane;2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name4-chloro-1,7-dimethylindazole;ethane;2-pyrrolidin-1-ylacetamide
PubChem CID145080742
Molecular FormulaC17H27ClN4O
Molecular Weight338.88 g/mol
Exact Mass338.19
IUPAC Name4-chloro-1,7-dimethylindazole;ethane;2-pyrrolidin-1-ylacetamide
SMILESCC.Cc1ccc(Cl)c2cnn(C)c12.NC(=O)CN1CCCC1
InChIInChI=1S/C9H9ClN2.C6H12N2O.C2H6/c1-6-3-4-8(10)7-5-11-12(2)9(6)7;7-6(9)5-8-3-1-2-4-8;1-2/h3-5H,1-2H3;1-5H2,(H2,7,9);1-2H3
InChIKeyOUBIYTBMQICAAO-UHFFFAOYSA-N
XLogP3.13
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,7-dimethylindazole;ethane;2-pyrrolidin-1-ylacetamide?
The IUPAC name of 4-chloro-1,7-dimethylindazole;ethane;2-pyrrolidin-1-ylacetamide (CID 145080742) is 4-chloro-1,7-dimethylindazole;ethane;2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for 4-chloro-1,7-dimethylindazole;ethane;2-pyrrolidin-1-ylacetamide?
The canonical SMILES for 4-chloro-1,7-dimethylindazole;ethane;2-pyrrolidin-1-ylacetamide is CC.Cc1ccc(Cl)c2cnn(C)c12.NC(=O)CN1CCCC1.
What is the InChIKey of 4-chloro-1,7-dimethylindazole;ethane;2-pyrrolidin-1-ylacetamide?
The InChIKey is OUBIYTBMQICAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2.C6H12N2O.C2H6/c1-6-3-4-8(10)7-5-11-12(2)9(6)7;7-6(9)5-8-3-1-2-4-8;1-2/h3-5H,1-2H3;1-5H2,(H2,7,9);1-2H3.
What are the key properties of 4-chloro-1,7-dimethylindazole;ethane;2-pyrrolidin-1-ylacetamide?
4-chloro-1,7-dimethylindazole;ethane;2-pyrrolidin-1-ylacetamide has a molecular weight of 338.88 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,7-dimethylindazole;ethane;2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 145080742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).