4-chloro-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-1H-indole-2-carboxamide

C16H17ClN4O — CID 134702485

IUPAC4-chloro-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-1H-indole-2-carboxamide
SMILESCCc1c(C)nn(C)c1NC(=O)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C16H17ClN4O/c1-4-10-9(2)20-21(3)15(10)19-16(22)14-8-11-12(17)6-5-7-13(11)18-14/h5-8,18H,4H2,1-3H3,(H,19,22)
InChIKeyWQTOYCVWZKXOJA-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.68
Rot. Bonds3

About 4-chloro-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-1H-indole-2-carboxamide

4-chloro-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-1H-indole-2-carboxamide (PubChem CID 134702485) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 4-chloro-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-1H-indole-2-carboxamide
PubChem CID134702485
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name4-chloro-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-1H-indole-2-carboxamide
SMILESCCc1c(C)nn(C)c1NC(=O)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C16H17ClN4O/c1-4-10-9(2)20-21(3)15(10)19-16(22)14-8-11-12(17)6-5-7-13(11)18-14/h5-8,18H,4H2,1-3H3,(H,19,22)
InChIKeyWQTOYCVWZKXOJA-UHFFFAOYSA-N
XLogP3.68
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-1H-indole-2-carboxamide?
The IUPAC name of 4-chloro-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-1H-indole-2-carboxamide (CID 134702485) is 4-chloro-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-1H-indole-2-carboxamide is CCc1c(C)nn(C)c1NC(=O)c1cc2c(Cl)cccc2[nH]1.
What is the InChIKey of 4-chloro-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-1H-indole-2-carboxamide?
The InChIKey is WQTOYCVWZKXOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-4-10-9(2)20-21(3)15(10)19-16(22)14-8-11-12(17)6-5-7-13(11)18-14/h5-8,18H,4H2,1-3H3,(H,19,22).
What are the key properties of 4-chloro-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-1H-indole-2-carboxamide?
4-chloro-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-1H-indole-2-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 134702485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).